Building a teaching course around crystallographic freeware Lachlan M. D. Cranswick - CCP14 Project, UK and Geochemistry - Lamont-Doherty Earth Observatory.

Building a teaching course around crystallographic freeware Lachlan M. D. Cranswick - CCP14 Project, UK and Geochemistry - Lamont-Doherty Earth Observatory of Columbia University, Palisades, New York, USA. E-mail: lachlan@ldeo.columbia.edu WWW: http://www.ldeo.columbia.edu/~lachlan/ WWW: http://www.ccp14.ac.uk/

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Main aim of this talk Emphasize that there is a range of high quality freely available software packages that can be useful for simple to advanced crystallographic teaching of single crystal and powder diffraction Encourage teachers of crystallography to consider continually checking for new software tools that can help teach not only scientific skills, but career employable scientific skills. Suggest that crystallographic teaching courses should also be training students on a diverse range of crystallographic software and encouraging versatility in the attitudes of students to continually search and use new tools and techniques as a continuing process of self education.

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Notes Free Zone - they are on the web http://www.ccp14.ac.uk/poster-talks/aca2001/

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Why bother considering a variety of modern software? (1 of 4) One consideration for modern crystallographic teaching is to minimize the risk of producing Crystallographic Cannon Fodder; and maximize (i) employability of graduates and (ii) intellectual opportunities for obtaining an exciting scientific career.

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Why bother considering a variety of modern software? (2 of 4) Path of Most Resistance? Using a variety of “state-of- the-art” tools can improve students’ versatility by demonstrating different pathways to tackle crystallographic problems. –When to use a subtle crystallographic nutcracker –When to unlock the sledgehammer cabinet –When to declare that Defcon 1 has been activated!

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Why bother using and teaching a variety of modern software? (3 of 4) Crystallographic Weaponry 101 Provide both –i) a rigorous grounding in the theory and –ii) the want in students to find and use the best software tools for the job Provide for chemists and scientists who use crystallography as a tool within a larger project and context.

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Why bother using freely available software? (4 of 4) Much freely available software is state of the art in both algorithms and usability - (GUIs) Lessons can concentrate on the crystallography (rather than learning text editors) Can be installed on as many computers as you want - where-ever you like Students can take programs home and use on their personal computers (negate software piracy problems) Students can use the software as an initial research tool kit Crystallographic Weaponry 102

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Agenda for Some Examples Automatic structure solution and refinement: “Platon / System S” Spacegroups and Symmetry using “Gretep” Scattering: “scatfac”, “dispano”, “poudrix”, “powder cell” Peak “profiles” and peak profiling using “XFIT” Powder Indexing using “Crysfire” and “Chekcell”/ Systematic absences in PXRD using “Chekcell” Complete single crystal analysis methods via “WinGX” Guided crystal structure refinement using “Crystals” Structure validation using “Platon”

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Hopefully Platon / System S demonstration worked! (Ton Spek - http://www.cryst.chem.uu.nl/platon/) Fully automatic structure solution Can show students how routine service crystallography can function Give them training on a powerful tool for use in their research or employment.

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Platon / System S for UNIX / Linux / FreeBSD (Ton Spek - http://www.cryst.chem.uu.nl/platon/) Concentrate on the problematic - go quickly through the routine; ( transparent links to other programs) –Structure Solution: Shelxs: http://shelx.uni-ac.gwdg.de/SHELX/ Dirdif: http://www-xtal.sci.kun.nl/xtal/documents/software/dirdif.html Sir: http://www.ba.cnr.it/IRMEC/SirWare_main.html Crunch: http://chemb0b.leidenuniv.nl:80/~rag/ –Autobuilding of structures: EXOR, Dirdif, Sir, Crunch –Structure Refinement: Shelxl: http://shelx.uni-ac.gwdg.de/SHELX/ –Validation, Fourier Maps, Addsym, Squeeze, etc.

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Gretep structure plotting / symmetry (by Jean Laugier and Bernard Bochu) (http://www.ccp14.ac.uk/tutorial/lmgp/) Freely available for anyone Very easy to use, including –Click and drag to rotate, translate, zoom –Draws symmetry operators labels –Loads common file formats - Shelx, CIF –Includes I.D. Browns GETSPEC –Can save all plotted information (labels, fonts, etc) into Gretep files

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Gretep: Showing symmetry operators (1)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Gretep: Showing symmetry operators (2)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Gretep: Each fragment with a different colour

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) If time limited: more chance to get your points across to students if examples are interactive

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Scatfac for interactively investigating scattering factors (http://www.ccp14.ac.uk/tutorial/lmgp/)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Dispano for Anomalous Scattering factor display (http://www.ccp14.ac.uk/tutorial/lmgp/)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Poudrix powder pattern calculation With Anomalous Dispersion - (Brenann and Cowan or Sasaki) (http://www.ccp14.ac.uk/tutorial/lmgp/)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) PowderCell powder pattern calculation (by Werner Kraus and Gert Nolze) (http://www.ccp14.ac.uk/tutorial/powdcell/) Can model multiple phases for quantitative analysis or modeling impurities Interactively modify atom occupancies and observe changes in the powder pattern Move atoms using point and click then see the change in the powder pattern Overlay a calculated powder pattern with raw diffraction data. Whole pattern unit cell refinement

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) PowderCell - interactively moving atoms (1 of 3) (http://www.ccp14.ac.uk/tutorial/powdcell/)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) XFIT Peak Profiling by Alan Coelho and Bob Cheary (http://www.ccp14.ac.uk/tutorial/xfit-95/) Robust peak fitting Multiple Patterns No soft limit on the number of peaks that can be refined at once Can handle alpha 1/2 Cons: does not have a standard GUI interface

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) XFIT Peak Profiling - 1 of 4 Load Data

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) XFIT Peak Profiling - 2 of 4 Zoom up

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) XFIT Peak Profiling - 3 of 4 Insert Peaks

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) XFIT Peak Profiling - 4 of 4 Fit Peaks (auto-Marquardt damping)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Crysfire Powder Indexing Robin Shirley (http://www.ccp14.ac.uk/tutorial/crys/ ) Imports XFIT and other peak formats Links to 8 different indexing programs –Ito, Dicvol, Treor, –Lzon, Taup, Fjzn –Losh, Kohl One line per solution summary file “Rescaling” / other features - can be indexing proteins from powder diffraction data

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Chekcell GUI indexing helper Laugier & Bouchu (http://www.ccp14.ac.uk/tutorial/lmgp/) GUI Interface Reads Crysfire Summary files and XFIT peak files Knows about Spacegroups Has Le Page for reduced cell / sub & super cell searching Automatic best solution Automatic best cell HKL to peak matching and optimization of tolerance

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Chekcell - Systematic Absences and space group possibilities Laugier & Bouchu (http://www.ccp14.ac.uk/tutorial/lmgp/) Scroll down through the spacegroups Graphically see the effects on allowed lines View the absence condition rules

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Chekcell - Systematic Absences Scrolling down the spacegroups C2/M (1 of 5)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Chekcell - Systematic Absences Scrolling down the spacegroups P2/C (2 of 5)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Chekcell - Systematic Absences Scrolling down the spacegroups C2/C (3 of 5)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Chekcell - Systematic Absences Scrolling down the spacegroups I2/C (4 of 5)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Chekcell - Systematic Absences Scrolling down the spacegroups P21/A (5 of 5)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Chekcell - Systematic Absences conditions for P21/A within Chekcell

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) WinGX for Windows single crystal suite Louis Farrugia: http://www.chem.gla.ac.uk/~louis/software/ Complete Single Crystal Suite for Windows Links to dozens of other programs (new and old) via GUI interfaces Nearly all programs are included with WinGX distribution

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) WinGX for Windows single crystal suite Families of programs included/linkable with WinGX Importing/viewing data and models Absorption Correction Solution (Shelx, difdif, sir, patsee) GUI / manual shelxl97 refinement Hydrogen addition options –Shelxl, GUI CalcOH, GUI XHYDEX Fourier Contour Map viewing –Platon, Contour, Mapview, Marching cubes Structure Plotting Validation / publishing

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) WinGX for Windows single crystal suite Absorption Correction DREAR - Blessing software Numerical –Gaussian, Analytical, Spherical, Cylindrical, Needle Semi-empirical –Psi Scans, Camel Jockey, Multiscan DIFABS Style –Difabs, Xabs, Shelxa Interactive Visualisation of crystal faces using XtalView

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) WinGX for Windows single crystal suite Structure Solution Shelxs97, Shels86, (Shelxd) Sir97, Sir 92 Dirdif (Patterson and fragment) Patsee fragment searching SXGRAPH GUI with WinGX –SXGRAPH Shelxl GUI allows an easy interface for loading of fragments for passing to Patsee or Dirdif

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) WinGX for Windows single crystal suite Refinement - Shelxl 97 GUI control of Shelx via WinGX’s SXGRAPH program or Shelx ASCII INS File

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) WinGX for Windows single crystal suite Hydrogen Addition options Shelx97 (G. Sheldrick) –Manually edit INS file –Via SXGRAPH GUI GUI XHYDEX (G Orphen) GUI CalcOH (M Nardelli)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) WinGX for Windows single crystal suite Easy Interlinking with Ton Spek’s Platon Squeeze/disordered solvent effects ADDSYM Other Platon Features

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) WinGX for Windows single crystal suite Fourier Electron Density Contour Maps Use LIST 3 command in Shelxl Point and click map generation View resulting maps in: –Contour –Mapview –Marching Cubes by Michak Husak

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) WinGX for Windows single crystal suite Structure Plotting GUI WinORTEP GUI WinSTRUPLO Platon/Pluton/ADP GRETEP (plugin) Schakal (plugin) Rasmol Photo realistic rendering –Povray –Render / RASTER 3D

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) WinGX for Windows single crystal suite Validation and Structure Checking Platon (Addsym, etc) CIF Validation Parst GEOM THMA 14c IDEAL SYMMOL WTANAL R-tensor

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Crystals for Windows single crystal suite David Watkin, Richard Cooper, et al.: http://www.xtl.ox.ac.uk/ Will focus on Guided refinement for teaching purposes

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Guided structure refinement using Crystals Import Shelx INS file of structure solved by DIRDIF Asymmetric unit is always in view

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Guided structure refinement using Crystals Crystals Superviser can then try and take the student (user) through the refinement - giving guidance where appropriate

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Guided structure refinement using Crystals Have now refined atom positions Isotropically The Crystals Supervisor will then make further recommendations (Crystals Scripts means custom tutorials and refinement logic can be added)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Guided structure refinement using Crystals Have now refined atom positions anisotropically Atoms can be displayed anisotropically

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Guided structure refinement using Crystals Automatic Hydrogen Addition Graphically compare calculated hydrogens (white) to possible hydrogens found in the difference map (pink).

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Interrupt the Guided Refinement in Crystals Manual Hydrogen Addition - 1 of 2 Crystals explains what is going on in a language organic chemists and students can understand (who may be learning single crystal methods as a tool for a larger project) - and displayed in organic chemistry text books. May be easier teaching crystallographic methods to a specialist audience starting out with their jargon.

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Interrupt the Guided Refinement in Crystals Manual Hydrogen Addition - 2 of 2 A “Wizard” then guides the user to complete the hydrogen addition

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Interrupt the Guided Refinement in Crystals Generating Fourier maps and Marching Cubes for Windows Easily generate Fourier contour maps to show the electron density. In this case: electron density due to the missing hydrogens.

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Guided structure refinement using Crystals Checking Extinction Crystals advises and guides the user to a decision on whether to add extinction in as a parameter A challenge of the crystallography teaching course is to give the background!

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Guided structure refinement using Crystals Optimize weights Crystals advises and guides the user on how to optimize the weights Again, a challenge of the crystallography teaching course is to give the reasoning!

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Guided structure refinement using Crystals Validate Structure In this case validation fails and crystals recommends a course of action

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Guided structure refinement using Crystals Validation via Cambridge database: geometry checking To students and new users, every structure must seem like a new structure type. Thus using CSD geometry check can encourage students to look for errors or novel features of the structure. Bondlengths RED="too long" and BLUE="too short". RED ---- GREY ---- GREY ---- BLUE 3sigma 2sigma 1sigma 0sigma 1sigma 2sigma 3sigma

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Validation using Crystals Cambridge database geometry check (1 of 4) Doing a CSD check shows a bond in red (too long) displaying a geometry of which is completely novel in reference to what is already known

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Validation using Crystals Cambridge database geometry check (2 of 4) Using the GUI (or scripts) make the offending Nitrogen a Carbon and re-refine.

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Validation using Crystals Cambridge database geometry check (3 of 4) Black bonds around the renamed atom tells the user that the new geometry has not been tested against the CSD. So interrogate the CSD again to obtain this information.

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Validation using Crystals Cambridge database geometry check (4 of 4) CSD results now imply/infer that local geometry is consistent with what is already in the database.

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Validation: Platon for UNIX and Windows Ton Spek: http://www.cryst.chem.uu.nl/platon/ Large range of tools including some life saving options. Will focus on Addsym for finding missing symmetry.

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Platon: Validation - Why Bother teaching this? For perhaps the same reason that Columbia University Law/Journalism professors teach their students (at least one - circa late 1940’s) : “ If your mother says she loves you,” “ CHECK IT OUT!!” Encourage students to solve, refine and publish structures that can stand the test of time - that means doing a variety of validation and using a variety of programs to assist in validation!

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Platon’s Addsym: Structure Published in 1997 P1 - Triclinic: 42 non-H atoms

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Platon’s Addsym: Correction Published in 1999: C2 - Monoclinic: 22 non-H atoms

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Platon’s Addsym: Press of a button: 2000: FDD2 - Orthorhombic: 11 non-H atoms (Short Communication Abstract: "P1 or P-1? Corrigendum", Acta Cryst B56 (2000) 744 from Richard E. Marsh)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Bonus Personal Rant: Need for the teaching of competent computer and OS skills! Many universities don’t seem to be teaching competent computer usage and programming skills. –General computer competence now judged by the ability to use MS Word and Excel –HTML taught in computer science departments as it was a programming language (instead of more difficult things like Fortran or C) Crystallographic teaching courses may have to make up for lowering standards in student computer competence

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Things to consider: Adding Computer skills and Programming to teaching courses. If the aim is to train employable crystallographers; consider adding one or two of the following to teaching courses: –Installing a dual boot UNIX (Linux/FreeBSD) and MS Windows PC; then compiling/installing crystallographic toolkits as part of a medium to advanced crystallographic course. CCP14 based tutorials at: Redhat Linux: http://www.ccp14.ac.uk/solution/linux/#install FreeBSD: http://www.ccp14.ac.uk/solution/bsdunix/ –Crystallographic programming as part of a rigorous crystallographic teaching course. (Most crystallographic software problems will probably be technical problems with the PC/? operating system)

ACA 2001 : "Building a teaching course around crystallographic freeware" Lachlan M. D. Cranswick (lachlan@ldeo.columbia.edu ) Summary Advanced freely available software exists that can be useful for crystallographic teaching if intelligently applied This and more software is also mirrored (many with web based tutorials) via the EPSRC funded CCP14 project and website: http://www.ccp14.ac.uk (3rd stage funding: August 2001 to August 2006, London, UK) IUCr Xtal Nexus Software CD-ROM for laboratories / students isolated from the internet: http://www.unige.ch/crystal/stxnews/nexus/index.htm (contact Lachlan Cranswick for free copy via air-mail) Thanks : –ACA and session chair –Professor Dave Walker, Lamont-Doherty Earth Observatory of Columbia University. –Apologies : authors of other freely available innovative crystallographic software for the lack of time in not showing a few dozen more programs

Building a teaching course around crystallographic freeware Lachlan M. D. Cranswick - CCP14 Project, UK and Geochemistry - Lamont-Doherty Earth Observatory.

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Building a teaching course around crystallographic freeware Lachlan M. D. Cranswick - CCP14 Project, UK and Geochemistry - Lamont-Doherty Earth Observatory.

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Presentation on theme: "Building a teaching course around crystallographic freeware Lachlan M. D. Cranswick - CCP14 Project, UK and Geochemistry - Lamont-Doherty Earth Observatory."— Presentation transcript:

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