-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Joel,
out of curiosity: what is "the Chiral volume outliers issue"? Cheers, Tim On 07/11/12 01:00, Joel Tyndall wrote: > Hi people, > > We are refining a structure with sulfates and we are getting the > Chiral volume outliers issue. I understand the problem as being > computational where the oxygens are in reality equivalent but > computationally named differently. I have seen the recent Acta > Cryst D paper (April 2012 - PDB_REDO) which talks about this issue > and mentions the development of Chiron which could fix this issue. > > Is there a way to fix this problem using existing tools (or > editing). > > We have ~20 sulfates in our protein (10-mer system) > > Thanks heaps > > Joel > > _________________________________ Joel Tyndall, PhD > > Senior Lecturer in Medicinal Chemistry National School of Pharmacy > University of Otago PO Box 56 Dunedin 9054 New Zealand Skype: > jtyndall > > Ph: +64 3 479 7293 > > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFP/U5+UxlJ7aRr7hoRAqaUAKD4Eo2tqarIwbK6+mHIfYYHcyhAKQCgy02F XK8ZYLNW3gI873nrtkZSv9E= =ishS -----END PGP SIGNATURE-----
