Mercurial > repos > bgruening > rxdock_sort_filter

annotate test-data/wrong_receptor.prm @ 3:3e4244e74d41 draft default tip

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rxdock commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:46:28 -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