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Hi-- > > I have a 4domain protein which has crystal structure known. After > finishing the backbone assignment, I did RDC measurement. The initial > fitting shows those 4 domains have different orientation than crystal > structure. > > > So I want to do a rigid-body (core of 4 domains will keep as rigid > body, just leave the linkage flexable) refinement against RDCs only. > Then I will be able to tell the orientation difference from crystall > structure. > > > I tried to make my xplor inp file from the eginput/prot_prot of the > xplor-nih distribution. The original scripts deal with two protein in > one complex, but my protein is a single covalently connected entity. > Althogh I tried really hard, the results were not good. Those domains > are pushed away from each other. > I'll be happy to look at your script if you ftp a *complete* example to dcb.cit.nih.gov:/pub/incoming best 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/> iD8DBQE/oD0iPK2zrJwS/lYRAtfTAJ4z9nFx2INygaXSDnUJn2+Zvc65JACdGao8 BnptAT0t2Qx2OEbUBuv2Yvo= =sZD5 -----END PGP SIGNATURE-----
