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Amber-MD / pytraj

Python interface of cpptraj
https://amber-md.github.io/pytraj
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Chain ID is now a string as of cpptraj version 6.27.0 #1656

Closed drroe closed 5 months ago

drroe commented 5 months ago

Chain ID is now a string in the Residue class to accommodate multi-character residue IDs, as well as better support segment IDs in CHARMM PSF files. See https://github.com/Amber-MD/cpptraj/pull/1086

drroe commented 5 months ago

@hainm I'm going to merge this since the CI passed and pytraj will not build without it, hope you don't mind.

hainm commented 5 months ago

Hi Dan

I don’t mind at all.

Hai

On Fri, Jun 14, 2024 at 3:15 PM Daniel R. Roe @.***> wrote:

@hainm https://github.com/hainm I'm going to merge this since the CI passed and pytraj will not build without it, hope you don't mind.

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