PDBfixer with python=3.10 and openmm=7.7

openmm / pdbfixer

PDBFixer fixes problems in PDB files

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PDBfixer with python=3.10 and openmm=7.7 #272

Closed matteo-cagiada closed 1 year ago

matteo-cagiada commented 1 year ago

Hi, I'm trying to install pdbfixer on my colaboratory notebook, but due to the recent update to python 3.10 and the mandatory use of openmm>7.7 the pdbfixer library doesn't work anymore because some functions have changed their name. Is there any plan to release a new version compatible with the newest openmm? Thanks

peastman commented 1 year ago

Thanks for pointing this out! I just created a new release. I opened a PR to build conda packages at https://github.com/conda-forge/pdbfixer-feedstock/pull/3.

peastman commented 1 year ago

The conda packages are now up.