Oliver Beckstein
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26a5ab042e
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API docs for propka
- use autosummary (with custom module template)
- updated module docs for all modules so that they are included
with sphinx autodocs
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2020-06-19 16:25:24 -07:00 |
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Nathan Baker
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ba67f5149d
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Replace old-style printf with str.format
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2020-05-28 16:10:48 -07:00 |
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Nathan Baker
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919305d8a3
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Clean up line breaks in group.py and hybrid36.py
https://github.com/jensengroup/propka-3.1/issues/43
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2020-05-25 18:49:51 -07:00 |
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Nathan Baker
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95e132e520
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De-lint hybrid36.py
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2020-05-24 11:21:55 -07:00 |
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Nathan Baker
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66e3e552c9
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Add description of hybrid36.
Addresses https://github.com/jensengroup/propka-3.1/pull/33#discussion_r429108127
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2020-05-23 09:20:49 -07:00 |
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Mike Beachy
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e0ed5da44b
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handle structures with 100,000 or more atoms
- the pdb format requires a 5-character field for the atom number; the
hybrid-36 format allows up to a ridiculous number of atoms
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2014-02-27 18:15:18 -05:00 |
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