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Hello Franz-- > I am using Xplor-NIH Version 2.9.4 without python interface. > I want to define a Cystein-MTSL spin label residue for incorporating > this residue into my protein with psfgen.inp. > Does anybody have these files or know how to make it ?? > Thanks so far ! > An example of adding Cys-MTSL is given in eginput/PSF_generation/addAtoms.py in Xplor-NIH version 2.9.12 and higher. While this script is Python, it is quite simple to modify. regards-- Charles - -- Charles Schwieters email: [email protected] www: http://schwieters.org/cds phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.3 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFEmqYqPK2zrJwS/lYRAud+AJ9lBWa6GVYPpHFHXJb0a3sEaJNBWQCdETaJ n/0n0n/iGvjr23eFdtW5xCw= =0LB8 -----END PGP SIGNATURE-----
