Re: [ccp4bb] Lactose refinement

2010-08-16 Thread Michael Thompson
16, 2010 9:44:39 AM GMT -08:00 US/Canada Pacific Subject: [ccp4bb] Lactose refinement We are attempting REFMAC refinement of a protein structure which is complexed with lactose. One of the rings (the one oriented away from the protein) loses the chair conformation which is flagged as a problem b

Re: [ccp4bb] Lactose refinement

2010-08-16 Thread Soisson, Stephen M
cmail.ac.uk] On Behalf Of Rex Palmer Sent: Monday, August 16, 2010 12:45 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Lactose refinement We are attempting REFMAC refinement of a protein structure which is complexed with lactose. One of the rings (the one oriented away from the protein)

[ccp4bb] Lactose refinement

2010-08-16 Thread Rex Palmer
We are attempting REFMAC refinement of a protein structure which is complexed with lactose. One of the rings (the one oriented away from the protein) loses the chair conformation which is flagged as a problem by COOT check chiral volumes. Is there anything we can do to restrain the ring as a cha