Frank Delaglio, Ph.D.

19804 Maycrest Way
Germantown MD 20876 USA

301 806-0867
delaglio@nmrscience.com



Scripts of the NMRPipe System
rotDC.tcl: Rotate PDB Structure onto One or More DC Alignment Frames.

Input Files:
Flag Argument Default Description
 -pdb pdbName ref.pdb PDB Input File
 -in dcInList dCalc[A-Z].tab DC Input Tables
PDB Output Files:
 -out outName rot.pdb Structures Rotated Onto Alignment Frames.
 -rel relName rel.pdb Relative Alignment Frames on Structure.
 -tmp tmpName tmp.pdb Temporary Output Name.
Other Options:
 -chain chain None New Chain Name for Output.
 -seg seg None New Segment Name for Output.
 -scale s 1.0 Tensor Size Scale Factor.
 -tx tx 0.0 Additional X-Axis Translation to Append.
 -ty ty 0.0 Additional Y-Axis Translation to Append.
 -tz tz 0.0 Additional Z-Axis Translation to Append.
 -rx rx 0.0 Additional X-Axis Rotation to Append.
 -ry ry 0.0 Additional Y-Axis Rotation to Append.
 -rz rz 0.0 Additional Z-Axis Rotation to Append.
 -axis Insert Axis Information (Default).
 -noaxis No Axis Information.
 -halo Insert Halo Information.
 -nohalo No Halo Information (Default).
 -ignore Ignore Segment Name Info.
Notes:
  DC input tables must have DATA for tensor EULER_ANGLES and S_XYZ.