Paul: Thank you!!
Steven -----Original Message----- From: Mailing list for users of COOT Crystallographic Software <COOT@JISCMAIL.AC.UK> On Behalf Of Paul Emsley Sent: Tuesday, June 8, 2021 10:49 AM To: COOT@JISCMAIL.AC.UK Subject: Re: Feature suggestion: Check/Delete Waters, toggle hydrogens on/off [Use CAUTION when opening links/attachments] On Fri, 2021-06-04 at 18:45 +0000, CRAIG A BINGMAN wrote: > The "Check/Delete Water" function under "Validate" would be more > useful to me if it were possible to ignore hydrogen atoms in the > distance calculations. There seems to be no distance window that works > simultaneously for water O-O distances, where riding hydrogens are almost > never present, and water O-protein distances, where the protein almost always > carries riding hydrogens. > I managed to find a useful PDB file on an old laptop. The fix to ignore water hydrogen atoms has now been published and will be available in 0.9.6. Paul. ######################################################################## To unsubscribe from the COOT list, click the following link: https://nam02.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCOOT%26A%3D1&data=04%7C01%7Csteven.sheriff%40BMS.COM%7Ce337e4110b6d4375062908d92a8c7d4e%7C71e34cb83a564fd5a2594acadab6e4ac%7C0%7C0%7C637587605315041570%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=E8rD7g9vo9k%2B0NfT%2FzGDQKwfnL9a1UrQfBbey281yr0%3D&reserved=0 This message was issued to members of https://nam02.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.jiscmail.ac.uk%2FCOOT&data=04%7C01%7Csteven.sheriff%40BMS.COM%7Ce337e4110b6d4375062908d92a8c7d4e%7C71e34cb83a564fd5a2594acadab6e4ac%7C0%7C0%7C637587605315041570%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=XwCiuwzNFWSJMilpi9vqG44rtmm6RTsiJ0yBYSNYqkU%3D&reserved=0, a mailing list hosted by https://nam02.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.jiscmail.ac.uk%2F&data=04%7C01%7Csteven.sheriff%40BMS.COM%7Ce337e4110b6d4375062908d92a8c7d4e%7C71e34cb83a564fd5a2594acadab6e4ac%7C0%7C0%7C637587605315041570%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=Y%2BSAj2QwZxsCgkLrmOGypqsg5%2FZzMsuZOTBaJPk7Hbw%3D&reserved=0, terms & conditions are available at https://nam02.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fpolicyandsecurity%2F&data=04%7C01%7Csteven.sheriff%40BMS.COM%7Ce337e4110b6d4375062908d92a8c7d4e%7C71e34cb83a564fd5a2594acadab6e4ac%7C0%7C0%7C637587605315041570%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=apro23uaR4lvKx4spwf%2FuFih7KFkL1Feyc1OIUzcWhc%3D&reserved=0 ________________________________ 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. ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
