Load aln

From PyMOLWiki
Jump to navigation Jump to search
The printable version is no longer supported and may have rendering errors. Please update your browser bookmarks and please use the default browser print function instead.

Included in psico
This command or function is available from psico, which is a PyMOL extension.

Module psico.importing

load_aln loads a pairwise sequence alignment file as an alignment object into PyMOL.

Installation

load_aln is available from the psico package and requires biopython.

All dependencies are available from Anaconda Cloud:

conda install -c schrodinger pymol
conda install -c schrodinger pymol-psico
conda install biopython

Usage

load_aln filename [, object [, mobile [, target
    [, mobile_id [, target_id [, format [, transform ]]]]]]]

Arguments

  • filename = str: alignment file
  • object = str: name of the object {default: filename prefix}
  • mobile, target = str: atom selections {default: ids from alignment file}
  • mobile_id, target_id = str: ids from alignment file {default: first two}
  • format = str: file format, see http://biopython.org/wiki/AlignIO {default: guess from first line in file}
  • transform = 0/1: superpose mobile on target (using fit) {default: 0}

Example

Alignment file (alignment.faa):

>seq1
ACDEFG----HIKLMN
>seq2
ACNEYGGGGGHVRLMN

PyMOL script:

# create objects
fab ACDEFGHIKLMN, m1
fab ACNEYGGGGGHVRLMN, m2

# load alignment
import psico.importing
load_aln alignment.faa, mobile=m1, target=m2

# show sequence viewer
set seq_view

Use the alignment object to superpose with xfit:

import psico.fitting
xfit m1, m2, match=alignment, cycles=100
rebuild

See Also