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procpdb.py <infile> [<outfile>] [rot=<alt,az,phi>] [trans=<dx,dy,dz>] [posttrans=<dx,dy,dz>] [centeratoms] [centerelec] [centermass] [animorph=<n>,<apix>,<vecfile>] [apix=<A/pix>] [split] [include=[helix,sheet,other] [chains=<chainltr>]  procpdb.py <infile> [<outfile>] [rot=<alt,az,phi>] [trans=<dx,dy,dz>] [posttrans=<dx,dy,dz>] [centeratoms] [centerelec] [centermass] [animorph=<n>,<apix>,<vecfile>] [apix=<A/pix>] [split] [include=[helix,sheet,other] [chains=<chainltr>]

procpdb.py

  • This program is for performing simple operations on PDB files

Usage

  • procpdb.py <infile> [<outfile>] [rot=<alt,az,phi>] [trans=<dx,dy,dz>] [posttrans=<dx,dy,dz>] [centeratoms] [centerelec] [centermass] [animorph=<n>,<apix>,<vecfile>] [apix=<A/pix>] [split] [include=[helix,sheet,other] [chains=<chainltr>]

Parameters

  • <infile>

    Input file

    [<outfile>]

    Output file

    [rot=<alt,az,phi>]

    Rotation in EMAN convention

    [trans=<dx,dy,dz>]

    Translate (before rotation)

    [posttrans=<dx,dy,dz>]

    Post-translation

    [centeratoms]

    Center based on the mean atom position

    [centerelec]

    Center based on the center of electron charge

    [centermass]

    Center based on the center of mass

    [animorph=<n>,<apix>,<vecfile>]

    This will use a morph vector file (segment3d) to morph atom positions

    [apix=<A/pix>]

    multiply trans by apix

    [split]

    Split file at TER records. Results imperfect.

    [include=[helix,sheet,other]

    [include=[helix,sheet,other]]

    [chains=<chainltr>]

    eg - "ABO", for extracting a portion of a complex

Description

Simple program for manipulating PDB files in the EMAN convention


EMAN Manual page, generated Mon Jan 8 17:35:59 2007

EMAN1/Programs/ProcPDB (last edited 2008-11-26 04:42:30 by localhost)