Molecule datatypes and converters. Including SDF, MOL, SMILES, InChI, MOL2 ...
Repository-Maintainer: Björn Grüning Repository-Development: https://github.com/bgruening/galaxytools/tree/master/orphan_tool_dependencies |
hg clone https://toolshed.g2.bx.psu.edu/repos/iuc/molecule_datatypes
Repository package_eigen_3_1 revision baedf7f82cc3 owned by iuc (prior install required) |
Repository package_cmake_3_2_3 revision 1aea698a1c63 owned by iuc (prior install required) |
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extension | type | mimetype | subclass |
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smi | galaxy.datatypes.molecules:SMILES | ||
sdf | galaxy.datatypes.molecules:SDF | ||
inchi | galaxy.datatypes.molecules:InChI | ||
mol | galaxy.datatypes.molecules:MOL | ||
mol2 | galaxy.datatypes.molecules:MOL2 | ||
cml | galaxy.datatypes.molecules:CML | ||
fps | galaxy.datatypes.molecules:FPS | text/html | |
obfs | galaxy.datatypes.molecules:OBFS | text/html | |
phar | galaxy.datatypes.molecules:PHAR | ||
pdb | galaxy.datatypes.molecules:PDB |