/
container.yaml
66 lines (66 loc) · 2.6 KB
/
container.yaml
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url: https://biocontainers.pro/tools/mgltools
maintainer: '@vsoch'
description: shpc-registry automated BioContainers addition for mgltools
latest:
1.5.7--h9ee0642_1: sha256:14bc2a1b05f77fa6cf34257253e17a9fb487cefb15050deb69167764a5ae5105
tags:
1.5.7--h9ee0642_1: sha256:14bc2a1b05f77fa6cf34257253e17a9fb487cefb15050deb69167764a5ae5105
docker: quay.io/biocontainers/mgltools
aliases:
adt: /usr/local/bin/adt
archosv: /usr/local/bin/archosv
babel: /usr/local/bin/babel
evol: /usr/local/bin/evol
ipcluster: /usr/local/bin/ipcluster
ipcluster2: /usr/local/bin/ipcluster2
ipcontroller: /usr/local/bin/ipcontroller
ipcontroller2: /usr/local/bin/ipcontroller2
ipengine: /usr/local/bin/ipengine
ipengine2: /usr/local/bin/ipengine2
iptest2: /usr/local/bin/iptest2
ipython2: /usr/local/bin/ipython2
mglbabel: /usr/local/bin/mglbabel
mglenv.csh: /usr/local/bin/mglenv.csh
mglenv.sh: /usr/local/bin/mglenv.sh
mglobabel: /usr/local/bin/mglobabel
mglobchiral: /usr/local/bin/mglobchiral
mglobconformer: /usr/local/bin/mglobconformer
mglobenergy: /usr/local/bin/mglobenergy
mglobfit: /usr/local/bin/mglobfit
mglobgen: /usr/local/bin/mglobgen
mglobgrep: /usr/local/bin/mglobgrep
mglobminimize: /usr/local/bin/mglobminimize
mglobprobe: /usr/local/bin/mglobprobe
mglobprop: /usr/local/bin/mglobprop
mglobrms: /usr/local/bin/mglobrms
mglobrotamer: /usr/local/bin/mglobrotamer
mglobrotate: /usr/local/bin/mglobrotate
mglobspectrophore: /usr/local/bin/mglobspectrophore
mglroundtrip: /usr/local/bin/mglroundtrip
obchiral: /usr/local/bin/obchiral
pip2: /usr/local/bin/pip2
pip2.7: /usr/local/bin/pip2.7
pmv: /usr/local/bin/pmv
prepare_ligand4.py: /usr/local/bin/prepare_ligand4.py
prepare_receptor4.py: /usr/local/bin/prepare_receptor4.py
prody: /usr/local/bin/prody
pythonsh: /usr/local/bin/pythonsh
raccoon: /usr/local/bin/raccoon
radical-utils-fix-headers.pl: /usr/local/bin/radical-utils-fix-headers.pl
radical-utils-mongodb.py: /usr/local/bin/radical-utils-mongodb.py
radical-utils-pylint.sh: /usr/local/bin/radical-utils-pylint.sh
radical-utils-version: /usr/local/bin/radical-utils-version
runAdt: /usr/local/bin/runAdt
sagapython-version: /usr/local/bin/sagapython-version
tester: /usr/local/bin/tester
vision: /usr/local/bin/vision
obabel: /usr/local/bin/obabel
obconformer: /usr/local/bin/obconformer
obdistgen: /usr/local/bin/obdistgen
obenergy: /usr/local/bin/obenergy
obfit: /usr/local/bin/obfit
obgen: /usr/local/bin/obgen
obgrep: /usr/local/bin/obgrep
obminimize: /usr/local/bin/obminimize
obprobe: /usr/local/bin/obprobe
obprop: /usr/local/bin/obprop