Frank Delaglio, Ph.D.

19804 Maycrest Way
Germantown MD 20876 USA

301 806-0867
delaglio@nmrscience.com



NMRWish Built-In TCL Functions
dynTransform: Apply rotation and translation to a molecular structure.

3D Translation and Rotation:
Flag Argument Default Description
 -src pdbSrc Source of Structure.
 -id selectID 1 Atom Selection to Transform.
 -all Select and Transform All Atoms.
 -inv Inverse Transform.
 -verb Return Transform Matrix.
 -rx rx 0.0 X-Axis Rotation (also: -psi).
 -ry ry 0.0 Y-Axis Rotation (also: -theta).
 -rz rz 0.0 Z-Axis Rotation (also: -phi).
 -tx tx 0.0 X-Axis Translation.
 -ty ty 0.0 Y-Axis Translation.
 -tz tz 0.0 Z-Axis Translation.
 -center Translate to Center Afterwards.
 -reset Reset Transform Matrix.
 -apply Apply Transform.