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split pqr coords by line positions when needed

Open jamesmkrieger opened this issue 1 year ago • 2 comments

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

jamesmkrieger avatar Apr 09 '24 08:04 jamesmkrieger

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

jamesmkrieger avatar Apr 09 '24 12:04 jamesmkrieger

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 avatar Apr 17 '24 14:04 jamesmkrieger

This has all the tests and seems to work well

jamesmkrieger avatar Aug 14 '24 15:08 jamesmkrieger

thank you

jamesmkrieger avatar Aug 22 '24 17:08 jamesmkrieger