polyply_1.0

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https://pypi.org/project/pooch/

fgrunewald

MetaMolecule for Proteins with EN and non-unique resids fails

5

**Describe the bug** Generating a residue graph for proteins, connected by an EN with non-unique resids fails. This leads to some scrambling in the coordinate reading. This only affects highly...

fgrunewald

Error message for undefined atom/bead types

1

Not a bug but possible enhancement. This is the error one gets if the [ atoms ] contains a atom/bead type `S4` that is not defined in the `[atomtypes]` section:...

ricalessandri

**Describe the bug** When running polyply gen_coords on settles molecules they are not connected, because the processor doesn't make bonds for settles molecules. **Expected behavior** Settles should make triangular bonds...

fgrunewald

Non-homogenous branched polymer building

6

Hello @fgrunewald, Firstly, thank you for the tool you've created, it has helped me and other's a lot and you have clearly done a wonderful job. I've created an .ff...

Jonifrc312