prody align

Usage

Running prody align -h displays:

usage: prody align [-h] [--quiet] [--examples] [-s SEL] [-m INT] [-i INT]
                   [-o INT] [-p STR] [-x STR]
                   pdb [pdb ...]

positional arguments:
  pdb                   PDB identifier(s) or filename(s)

optional arguments:
  -h, --help            show this help message and exit
  --quiet               suppress info messages to stderr
  --examples            show usage examples and exit

atom/model selection:
  -s SEL, --select SEL  reference structure atom selection (default: calpha)
  -m INT, --model INT   for NMR files, reference model index (default: 1)

chain matching options:
  -i INT, --seqid INT   percent sequence identity (default: 90)
  -o INT, --overlap INT
                        percent sequence overlap (default: 90)

output options:
  -p STR, --prefix STR  output filename prefix (default: PDB filename)
  -x STR, --suffix STR  output filename suffix (default: _aligned)

Examples

Running prody align --examples displays:

Align models in a PDB structure or multiple PDB structures and save
aligned coordinate sets.  When multiple structures are aligned, ProDy
will match chains based on sequence alignment and use best match for
aligning the structures.

Fetch PDB structure 2k39 and align models (reference model is the
first model):

  $ prody align 2k39

Fetch PDB structure 2k39 and align models using backbone of residues
with number less than 71:

  $ prody align 2k39 --select "backbone and resnum < 71"

Align 1r39 and 1zz2 onto 1p38 using residues with number less than
300:

  $ prody align --select "resnum < 300" 1p38 1r39 1zz2

Align all models of 2k39 onto 1aar using residues 1 to 70 (inclusive):

  $ prody align --select "resnum 1 to 70" 1aar 2k39

Align 1fi7 onto 1hrc using heme atoms:

  $ prody align --select "noh heme and chain A" 1hrc 1fi7