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ContactVis-预测蛋白质残基接触的接触图绘制。-M. Michel - zhen...
来自 : 开源中国 发布时间:2021-03-24
ContactVis

Python package for simple protein residue-residue contact map plotting. The tool can be used from python like this::

#!/usr/bin/env pythonfrom contactvis import plot_contact_mapplot_contact_map.plot_map(fasta_filename, contact_filename, factor,c2_filename=\'\', psipred_horiz_fname=\'\', psipred_vert_fname=\'\', pdb_filename=\'\', is_heavy=False, chain=\'\', sep=\',\', outfilename=\'\')

Or from command line::

plot_contact_map.py [-h] [-o OUTFILE] [-f FACTOR] [--c2 C2] [--psipred_horiz PSIPRED_HORIZ] [--psipred_vert PSIPRED_VERT] [--pdb PDB] [--heavy] [--chain CHAIN] fasta_file contact_file

To reproduce the different examples in the test folder run the following commands:

Simple map of the given contact file with coloring according to contact probability::

python ../plot_contact_map.py sequence.fasta predicted.contacts -o cm_simple.pdf

Comparison to contacts from the native PDB structure (pairwise CB-atom distance with 8Å cutoff)::

python ../plot_contact_map.py sequence.fasta predicted.contacts -o cm_pdb.pdf --pdb native_structure.pdb

Compare two different predicted contact maps to each other and to a native PDB structure and include secondary structure information along the diagonal (red: helix, blue: sheet)::

python ../plot_contact_map.py sequence.fasta predicted.contacts -o cm_compare_pdb.pdf --pdb native_structure.pdb --c2 predicted.contacts2 --psipred_horiz psipred.horiz

本文链接: http://mmichel.immuno-online.com/view-678103.html

发布于 : 2021-03-24 阅读(0)