Santhosh: Modern molecular replacement programs, e.g. PHASER and MOLREP, look for and take, at least translational, NCS into account.
Modern refinement programs, e.g. BUSTER, REFMAC, and PHENIX.REFINE, use LSSR (Local Structure Similarity Restraints) for NCS and improve geometry to resolutions better than 2 A (maybe even better than 1.5 A) and reduce overfitting. NCS should therefore be used during refinement, UNLESS one can prove that it is hurting refinement by increasing R-free. Even then, it may only require some hand editing of the residues to exclude from LSSR. Steven -----Original Message----- From: Mailing list for users of COOT Crystallographic Software [mailto:[email protected]] On Behalf Of SUBSCRIBE COOT santhosh Sent: Tuesday, September 08, 2015 8:22 AM To: [email protected] Subject: NCS Hi every body, Is it needed to consider NCS with space group P61 (two molecules in the asymmetric unit ) during molecular replacement and refining at a resolution of 1.9 A. How it will effect processing of the data ? Please provide your suggestions. santhosh ________________________________ This message (including any attachments) may contain confidential, proprietary, privileged and/or private information. The information is intended to be for the use of the individual or entity designated above. If you are not the intended recipient of this message, please notify the sender immediately, and delete the message and any attachments. Any disclosure, reproduction, distribution or other use of this message or any attachments by an individual or entity other than the intended recipient is prohibited.
