changeset | 5b4ae74b7f0b |
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branch | default |
bookmark | |
tag | tip |
user | chemteam |
description | "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1" |
files | macros.xml test-data/ZAFF.frcmod test-data/ZAFF.prep test-data/leap_testfile.txt test-data/sarscov2_helicase_ZincBindingDomain.pdb |
changeset | 79c856227ff1 |
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branch | |
bookmark | |
tag | |
user | chemteam |
description | "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f6acbf6f5875904c5b0c69445da0bf44932611c6" |
files | acpype_Amber2Gromacs.xml macros.xml parmconv.py template_mmpbsa_mmgbsa.j2 template_parmconv.j2 test-data/1err_desolvated_mini.nc test-data/JZ4.mol2 test-data/LigA.mol2 test-data/LigA.pdb test-data/LigA_output.mol2 |