> -------------------------------------------------------------------------- AstraZeneca UK Limited is a company incorporated in England and Wales with registered number: 03674842 and a registered office at 2 Kingdom Street, London, W2 6BD. Confidentiality Notice: This message is private and may contain confidential, proprietary and legally privileged information. If you have received this message in error, please notify us and remove it from your system and note that you must not copy, distribute or take any action in reliance on it. Any unauthorised use or disclosure of the contents of this message is not permitted and may be unlawful. Disclaimer: Email messages may be subject to delays, interception, non-delivery and unauthorised alterations. Therefore, information expressed in this message is not given or endorsed by AstraZeneca UK Limited unless otherwise notified by an authorised representative independent of this message. No contractual relationship is created by this message by any person unless specifically indicated by agreement in writing other than email. Monitoring: AstraZeneca UK Limited may monitor email traffic data and content for the purposes of the prevention and detection of crime, ensuring the security of our computer systems and checking Compliance with our Code of Conduct and Policies. -----Original Message----- > From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > Dean Derbyshire > Sent: 07 December 2011 08:40 > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] Real space refinement in coot > > Anyone know how to minimize the domination of heavy atoms during RSR in > coot. The density from my zincs causes the coordinating His residues > to collapse onto the metal ion when I try RSR. > > Cheers in advance > > Dean
Go to Extensions->Maps->Mask map by atom selection to mask the map out around the zincs (set the map of interest as the refinement map, select the model containing the Zns and the atom selection string for them), which will generate a map with holes at the Zn positions, then use the resulting map in refinement. JED.
