changeset | 4beb3e026bbb |
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branch | default |
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tag | tip |
user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit c1d813d3f0fec60ea6efe8a11e59d98bfdc1636f" |
files | dimorphite_dl.py rdconf.py rdkit_descriptors.py sdf_to_tab.py test-data/rdconf_output.sdf test-data/staurosporine.smi |
changeset | 351fbd750a6d |
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user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 4d0bfcf37bfbedafc7ff0672dfe452766ca8a606" |
files | dimorphite_dl.py rdkit_descriptors.py sdf_to_tab.py test-data/mol.pdb test-data/mol_pdb_charges.tab test-data/rdkit_descriptors_result1.tab test-data/rdkit_descriptors_subset.tab |
changeset | 55553120df69 |
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user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0" |
files | sdf_to_tab.xml test-data/ligand.tab test-data/rdkit_descriptors_result1.tab |
changeset | 71bc02c59d3a |
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user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit a03b1b7b283901a1510562f1e6eba41f70afaac4" |
files | sdf_to_tab.py sdf_to_tab.xml |
changeset | 40ff81f67f5e |
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user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 09b22cceacb34dd4c6c1b42890f93232df128208" |
files | sdf_to_tab.py sdf_to_tab.xml test-data/CID_3037.tab |
changeset | 193389d3a5f0 |
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user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 20df7e562341cd30e89a14d6bde9054956fadc06" |
files | dimorphite_dl.py site_substructures.smarts test-data/mols.smi |
changeset | 06828e0cc8a7 |
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tag | |
user | bgruening |
description | "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 714e984db6ba1198cacf4dcf325320a5889fa02c" |
files | rdkit_descriptors.py sdf_to_tab.py sdf_to_tab.xml test-data/CID_3037.sdf test-data/CID_3037.tab test-data/ligand.sdf test-data/ligand.tab test-data/rdkit_descriptors_result1.csv test-data/rdkit_descriptors_result1.tab test-data/sucos_cluster.sdf |