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