WOW. thanks Paul. If there is a category of 'super scientist' you certainly are one. kas
Kenneth A. Satyshur, M.S., Ph.D. Senior Scientist, College of Ag and Life Sciences: Department of Bacteriology; School of Medicine and Public Health: Departments of Biomolecular Chemistry, Neuroscience, Oncology, and Carbone Cancer Center (Small Molecule Screening Facility) University of Wisconsin-Madison Madison, Wisconsin, 53706 608-215-5207 ________________________________ From: Mailing list for users of COOT Crystallographic Software <COOT@JISCMAIL.AC.UK> on behalf of CRAIG A BINGMAN <000021371e2fba31-dmarc-requ...@jiscmail.ac.uk> Sent: Tuesday, June 8, 2021 9:55 AM To: COOT@JISCMAIL.AC.UK <COOT@JISCMAIL.AC.UK> Subject: Re: Feature suggestion: Check/Delete Waters, toggle hydrogens on/off Paul, Thank you so much! Craig > On Jun 8, 2021, at 9:48 AM, Paul Emsley <pems...@mrc-lmb.cam.ac.uk> wrote: > > 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://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<http://www.jiscmail.ac.uk/COOT>, a mailing list > hosted by www.jiscmail.ac.uk<http://www.jiscmail.ac.uk>, terms & conditions > are available at https://www.jiscmail.ac.uk/policyandsecurity/ ######################################################################## 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<http://www.jiscmail.ac.uk/COOT>, a mailing list hosted by www.jiscmail.ac.uk<http://www.jiscmail.ac.uk>, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/ ######################################################################## 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/
