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Chemistry-File-CML-0.14 |
Chemical Markup Language reader/writer |
02 Mar 2023 14:47:33 UTC |
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Chemistry-Ring-0.21 |
Represent a ring as a substructure of a molecule |
16 Dec 2022 08:35:04 UTC |
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Chemistry-File-OPTIMADE-0.11 |
OPTIMADE reader |
21 Oct 2022 10:42:34 UTC |
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Chemistry-File-MDLMol-0.24 |
MDL molfile reader/writer |
03 Feb 2022 16:09:12 UTC |
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Chemistry-File-SMILES-0.47 |
SMILES linear notation parser/writer |
08 Jul 2010 03:16:39 UTC |
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Chemistry-File-PDB-0.23 |
Protein Data Bank file format reader/writer |
10 May 2009 21:58:55 UTC |
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Chemistry-Pattern-0.27 |
Chemical substructure pattern matching |
10 May 2009 21:00:10 UTC |
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Chemistry-Canonicalize-0.11 |
Number the atoms in a molecule in a unique way |
10 May 2009 20:17:04 UTC |
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Chemistry-Bond-Find-0.23 |
Detect bonds in a molecule from atomic 3D coordinates and assign formal bond orders |
10 May 2009 20:05:27 UTC |
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Chemistry-File-InternalCoords-0.03 |
Internal coordinates (z-matrix) molecule format reader/writer |
07 Apr 2007 23:59:47 UTC |
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Chemistry-File-QChemOut-0.10 |
Q-Chem ouput molecule format reader |
04 Oct 2006 16:20:37 UTC |
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Chemistry-MidasPattern-0.11 |
Select atoms in macromolecules |
16 May 2005 23:06:55 UTC |
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Chemistry-File-SMARTS-0.22 |
SMARTS chemical substructure pattern linear notation parser |
16 May 2005 22:22:44 UTC |
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Chemistry-Mok-0.25 |
an awk for molecules |
16 May 2005 21:55:57 UTC |
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Chemistry-File-VRML-0.10 |
Generate VRML models for molecules |
16 May 2005 21:17:49 UTC |
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Chemistry-3DBuilder-0.10 |
Generate 3D coordinates from a connection table |
06 May 2005 22:37:42 UTC |
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Chemistry-File-SLN-0.11 |
SLN linear notation parser/writer |
29 Mar 2005 16:42:04 UTC |
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Chemistry-Reaction-0.02 |
Explicit chemical reactions |
26 Sep 2004 19:20:27 UTC |
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Chemistry-InternalCoords-0.18 |
Represent the position of an atom using internal coordinates and convert it to Cartesian coordinates. |
24 Sep 2004 20:51:39 UTC |
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Chemistry-FormulaPattern-0.10 |
Match molecule by formula |
11 Aug 2004 23:09:39 UTC |