John: I recently (22-Nov) pointed out to Paul Emsley that if one entered potassium through the popup menu, it places the "K" of potassium in the wrong column of a PDB file, column 13 rather than column 14. The element is right-justified, so single letter elements use only column 14, but two letter elements use both columns 13 and 14. If you manually edit your file so that the "K" is in column 14, the potassium should then refine.
Steven From: Mailing list for users of COOT Crystallographic Software <COOT@JISCMAIL.AC.UK> On Behalf Of John Smith Sent: Friday, December 2, 2022 10:31 AM To: COOT@JISCMAIL.AC.UK Subject: Pointer Atoms - Potassium [Use CAUTION when opening links/attachments] Dear all! I am using Coot 0.9.8.5 EL (ccp4) and I want to add K/potassium ions during model building. Adding Na and Cl is straightforward, but if I click on Pointer Atom Type other, enter K and hit OK, then a grey atom is added, but it does not refine. Warning: Failed to match the dictionary. Similar problem occurs if I do it via Calculate - Modelling - add other solvent molecules. If I specify K as three letter code, it brings up potassium ion but it does not refine. Any tips why this is not working? Thank you! Best regards John ________________________________ To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1<https://nam02.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCOOT%26A%3D1&data=05%7C01%7Csteven.sheriff%40BMS.COM%7C01e6bb0000ae4fa4ea9a08dad47bbcac%7C71e34cb83a564fd5a2594acadab6e4ac%7C0%7C0%7C638055925316442069%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000%7C%7C%7C&sdata=QKH6kv%2B1bZhwecWgoTEnsTcaM%2B32ZuED4M5%2F%2F%2FuJaVE%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/
