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split pqr coords by line positions when needed #1860

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merged 9 commits into from
Aug 22, 2024

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jamesmkrieger
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Potential fix for #1855

If the line does not have the right fields because of no spaces between coords to maintain pdb-like format, then it splits them by pdb-like positions

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We could do with tests for this too. Currently, there aren't any for parsePQR at all

@jamesmkrieger jamesmkrieger marked this pull request as draft April 16, 2024 12:10
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I haven't merged this branch as I don't have any unit tests yet, but I guess at some point I can make them from the example snippets you gave in the issue.

@jamesmkrieger jamesmkrieger marked this pull request as ready for review August 14, 2024 13:40
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This has all the tests and seems to work well

@jamesmkrieger jamesmkrieger merged commit 70072a1 into prody:main Aug 22, 2024
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@jamesmkrieger jamesmkrieger deleted the pqr_fix branch August 22, 2024 17:26
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thank you

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2 participants