[gmx-users] changing dihedral angles in a pdb file

Yuguang Mu ygmu at theochem.uni-frankfurt.de
Thu Apr 17 13:01:03 CEST 2003

I know a program called "MOLDEN" usually used by ab initio guys
to edit molecules. Using it with z-matrix function, you can easily
set your specific torsion values and output structures

Dr. Yuguang Mu
Institute for Physical and Theoretical Chemistry
J.W. Goethe University Frankfurt am Main
Marie Curie Str. 11
60439 Frankfurt/Main, Germany
Tel: +49-(0)69-798-29711

On Thu, 17 Apr 2003, Y U Sasidhar wrote:

> Is there a utility which will read a pdb file, change certain selected
> phi,si,chi1, chi2 etc to specific values and write the changed pdb file
> ? spdbv ( deep view ) has a tortion tool but it doesn't display the
> angle being varied. It becomes difficult, though not impossible to set
> specific torsion values.
> --
>  Sasidhar
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