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  1. polytop

    A topology builder for polymers

    JavaScript 2 1

287 contributions in the last year

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August 2019

Created a pull request in MDAnalysis/mdanalysis that received 4 comments

Allow ChainReader to accept format keyword

Fixes #2334 Changes made in this Pull Request: Passed format argument from ChainReader through to core._get_readers.get_reader_for PR Checklist …

+11 −6 • 4 comments

Created an issue in MDAnalysis/mdanalysis that received 2 comments

MDAnalysis returns first letter of atom name as element

Expected behavior This is an excerpt of my real PDB file for ATP: ATOM 20 AH2* ATP 1193 71.850 70.750 36.080 1.00 0.00 ATOM 21 AC3* ATP 1193 69.340…

2 comments
11 contributions in private repositories Aug 1 – Aug 9

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