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works with mdtraj
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@stefdoerr
stefdoerr committed Mar 4, 2024
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Expand Up @@ -28,7 +28,7 @@ scipy >=1.10.1
# For moleculekit full install
propka >=3.4.0
pdb2pqr >=3.5.2+18
# mdtraj >=1.9.9
mdtraj >=1.9.9
# plumed >=2.7.3
openbabel >=3.1.1
rdkit >=2020.09.3
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