semvec/pypi-packages huggingface dataset:
pypulchra 1.0.1
Python bindings for the pulchra CA -> full bb trace library
Requires Python: >=3.7

Python bindings for the pulchra CA -> full bb trace library
README
======

Description
-----------

Modified PULCHRA 3.07 release for c++ / python library. Turn CA pdbs
into full-atom pdbs

Installation
------------

Requirements
~~~~~~~~~~~~

-  A working c++ compiler (gcc/clang)

::

   pip install pypulchra

Usage
-----

Commandline
~~~~~~~~~~~

::

   pypulchra --input-pdb my.pdb --output-pdb out.pdb

Api
~~~

see ``pypulchra/__init__.py``

Notes/TODOs
-----------

| Bindings initially generated with
| https://github.com/RosettaCommons/binder

[ ] add cif support

PULCHRA User’s Manual
---------------------

PowerfUL CHain Restoration Algorithm Version 3.07

Copyright (c) 2000-2009 Piotr Rotkiewicz

Permission is hereby granted, free of charge, to any person obtaining a
copy of this software and associated documentation files (the
“Software”), to deal in the Software without restriction, including
without limitation the rights to use, copy, modify, merge, publish,
distribute, sublicense, and/or sell copies of the Software, and to
permit persons to whom the Software is furnished to do so, subject to
the following conditions:

The above copyright notice and this permission notice shall be included
in all copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED “AS IS”, WITHOUT WARRANTY OF ANY KIND, EXPRESS
OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF
MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT.
IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY
CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT,
TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE
SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.