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Hello-- Jegannath Korukottu <[email protected]> writes: > I use proteinL as my model system. Referring the earlier works I gave > Full degrees of freedom to the 11 mobile side chains and i gave > dihedral restraints of ?20? for the adjacent sidechains(in > surfacesidechains.tbl with the standard Xplor format), but now how can > I give full degrees of freedom to this surface sidechains as well?? > > Is that advicable to just do this > ! @surfacesidechains.tbl > This should be sufficient to remove those restraints. Note however, that the script you are modifying is apparently not distributed with Xplor-NIH, so it is difficult to give more detailed advice. For more help next time, please send the script. 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 v1.2.1 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFAbGL3PK2zrJwS/lYRAnrjAJ9TmgJ6a1/gIOWuNfS3/t0PBt5vQQCfcxHF Ib/IiSQjal3C+L0CTd5OTDM= =h365 -----END PGP SIGNATURE-----
