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MarvinSpace and competitors AstexJMolMSpacePyMolSwissPDB General Java/Web yes License freefree, open sourcefree for academia, free when not integrated.

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Presentation on theme: "MarvinSpace and competitors AstexJMolMSpacePyMolSwissPDB General Java/Web yes License freefree, open sourcefree for academia, free when not integrated."— Presentation transcript:

1 MarvinSpace and competitors AstexJMolMSpacePyMolSwissPDB General Java/Web yes License freefree, open sourcefree for academia, free when not integrated not free, open sourcefree Support noactive maling listprofessional, 24 hours response time, public forum annual support feebug reports can be sent in email Release first known 20021998?14 November, 2005December, 1999Unknown latest200515 April, 2006 7 June, 2006 6 February, 20066 June, 2003 frequencyrarely2 times a year2 monthly1-3 times a yearUnknown Hardware accelerated graphics yesnoyes Features and functions Basic molecule drawing ball, stick, spacefill etc. Basic molecule coloring CPK, chain, B-factor, rainbowno B-factor coloringflexible, CPK, residue, chain, constant, schemas; B-factor, rainbow no residue coloring256 screen colors Secondary structure drawing backbone, c-alpha trace, ribbon, cartoon pipe and plank, ribbon; cartoon; backbone, c-alpha trace pipe and plank; ribbon; cartoon; backbone; no c-alpha trace backbone; ribbon; c-alpha trace Labels typesresidue atomatom symbol, atom name, atom numberatom, residue, seconday structure; content customizable all types, even atomic properties can be displayed atom types, name, charge, group editableno yesno movableno9 wired in positionyesno coloredyestext onlyyes visibility 2D/3Dyesnoyesno Measurements typesdistance, bond, torsion live monitorsno yesno Surfaces typesConnollynovan der Waals, solvent accesible, Connolly; blobby Connolly modessolidn/adot, mesh, solidmesh, solid,dot, mesh, solid transparencyyesn/ayes qualitywired inn/aadjusted to molecule size, configurable accuracy 4 wired in options6 wired in modes, even the best provides low quality triangle count reductionnon/ayesno Property mapping lipophilicity, electrostatic, local curvature, CPK, distance n/aCPK, residue, chain, secondary, B-factor, electrostatis potential; user defined atomic/volumetric porperties CPK, chain, seconday, B-factorCPK, chain, energy by force field, cavity, electrostatic potential, B-faactor, 3D structure build no integrated with MarvinSketchno Stereo view cross eyered+green glasses, crosseye, walleyenocrosseye, walleye, hardwareside-by-side; hardware Input/ Output File formats Mol, PDBMol, PDB, SDfMol, SDF, SMILES, XYZ, PDB, CubeMol, SDF, PDB, X-Plor, CCP4, AVS field, DXMap PDB, CSMol, MSMS, Grasp, X-Plor, CCP4 Save image BMP in various sizesJPEG, PNG, PPM in screen resolution, PovRay output BMP, JPG, PNG, Targa in arbitrary sizePNG screen resolutionPov, BMP, Targa screen resolution, no feedback Scripting custom languageRasmol/Chime; customnoRasmol/Chimecustom language Usability GUI easy to learn easy to use Speed load medium protein load large protein render med protein spacefill surface generation n/a surface rotation/zoom n/a Quality default settings best settings presentation quality overall impression Other comments handy, good performance, nice seconday structures and surfaces fast, but lack of features, low quality images it's a great piece of software!!!fast drawing, high quality, not too handyvery low rendering quality, hard to use

2 Enter Prize Draw Guess which program generated the corresponding image First 3 wins an excellent Tokaj 5 puttonyos wine!


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