NMRWish Built-In TCL Functions
dynSelect: Select atoms according to the specified conditions, such as by residue name, etc.

Flag Argument Default Description
 -src pdbSrc Source of Structure.
 -append Append to previous selection.
Dynamics Selection:
 -fixed Set Selected Atoms as Fixed.
 -nofixed Set Selected Atoms as Fixed.
Output and Result Options:
 -verb Verbose Mode ON.
 -list Return Atom Entry List.
 -nolist Return Select Count (Default).
 -res resID Single Residue for Selection.
 -r1 res1 First Residue in Segment.
 -rN resN Last Residue in Segment.
 -e1 ae1 First Atom Entry in Segment.
 -eN aeN Last Atom Entry in Segment.
 -atomName aList Atom Name List (also -atom).
 -resName rList * Res Name List.
 -chain cList * Chain Name List.
 -seg sList * Seg Name List.
 -id sID Selection ID.
 -inv Invert Selection.
Special Class Selection:
 -protein Select Only Canonical Amino Acids.
Selection Within Coord Sphere:
 -near rad Selection Radius (Angstroms).
 -x x0 Center X Coord (Angstroms).
 -y y0 Center Y Coord (Angstroms).
 -z z0 Center Z Coord (Angstroms).
Selection Within Coord Region (Also -y... -z...):
 -x1 x1 Region X1 Limit (Angstroms).
 -xn xn Region XN Limit (Angstroms).
Reset Selection. No Other Selection Performed:
 -clear Clear Selection for All Atoms.
 -set Set Selection for All Atoms.
Name Matching Modes:
 -exact Match Names Exactly (Default).
 -regex Regular Expression Pattern Matching.
 -glob Glob-style Pattern Matching, and with # for numerals in atom names.
PDB Input Options:
 -hetatm Interpret HETATM records as ATOMs.
Notes (New Version of dynSelect):
  1. Use -append to retain previous selection.
  2. Use -atom * to select all atom names.
  2. Use -res * to select all residues.

[ Home ] [ NIH ] [ NIDDK ] [ Disclaimer ] [ Copyright ]
last updated: Jul 24, 2011 / Webmaster