项目作者: axelfischer

项目描述 :
Insert b-factor values into PDB files
高级语言: Python
项目地址: git://github.com/axelfischer/insert-bfactor.git
创建时间: 2017-01-12T01:23:39Z
项目社区:https://github.com/axelfischer/insert-bfactor

开源协议:GNU General Public License v3.0

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PEP8

Insert b-factor values from a text file into a PDB file.

Usage

The b-factor values need to be specified in a text file using the format
<chain_id> <seq_id> <bfac> like in the following example:

  1. A 10 0.1
  2. B 10 0.2
  3. A 88 -5.1

A copy of the input PDB with the given b-factor values can
the be created using

insert-bfactor.py -p <input.pdb> -b <bfac_file> -o <output.pdb> -d 1.0

The flag -d sets a default value which is applied to residues not
specified in the b-factor file as well as to hetero atoms.

For a detailed explanation of all options call insert-bfactor.py -h.

License

This project is licensed under the GPLv3 License - see the LICENSE
file for details.