Mercurial > repos > bgruening > rxdock_rbcavity

annotate test-data/wrong_receptor.prm @ 1:583dcdbdbf42 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rxdock commit e9c627440028cfd2c743462927672e0c5e3576aa"
author bgruening
date Sat, 25 Apr 2020 08:58:47 -0400
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583dcdbdbf42 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rxdock commit e9c627440028cfd2c743462927672e0c5e3576aa"
bgruening
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1 RBT_PARAMETER_FILE_V1.00
583dcdbdbf42 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rxdock commit e9c627440028cfd2c743462927672e0c5e3576aa"
bgruening
parents:
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2 RECEPTOR_FILE a_terrible_mistake.mol2
583dcdbdbf42 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rxdock commit e9c627440028cfd2c743462927672e0c5e3576aa"
bgruening
parents:
diff changeset
3 RECEPTOR_FLEX 3.0