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openmm / pdbfixer

PDBFixer fixes problems in PDB files
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Fixed box vectors for truncated octahedron #208

Closed peastman closed 3 years ago

peastman commented 3 years ago

See https://github.com/openmm/openmm-setup/issues/18.

peastman commented 3 years ago

Travis is failing with the error

Miniconda MD5 mismatch

Anyone have an idea what's going on?

jchodera commented 3 years ago

Some paths were changed and the devtools/travis-ci/install.sh needs to be updated.

See the updated cookiecutter. Note the cookiecutter has been refactored a bit---I highly recommend upgrading pdbfixer to the latest cookiecutter recommended repo organization.

Can you also enable nightly builds to catch this?