Mercurial > repos > bgruening > rxdock_sort_filter

annotate test-data/wrong_receptor.prm @ 2:4ba7350f00ad draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rxdock commit 4a2d8ff54cacd0a755154760729058ab3cf28ee1"
author bgruening
date Wed, 03 Jun 2020 12:57:11 -0400
parents 7be0793dd448
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
1
7be0793dd448 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rxdock commit e9c627440028cfd2c743462927672e0c5e3576aa"
bgruening
parents:
diff changeset
1 RBT_PARAMETER_FILE_V1.00
7be0793dd448 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rxdock commit e9c627440028cfd2c743462927672e0c5e3576aa"
bgruening
parents:
diff changeset
2 RECEPTOR_FILE a_terrible_mistake.mol2
7be0793dd448 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rxdock commit e9c627440028cfd2c743462927672e0c5e3576aa"
bgruening
parents:
diff changeset
3 RECEPTOR_FLEX 3.0