It happens sometimes when you can not open the downloaded cif files properly.
One solution is to draw the compound yourself in Chemdraw, copy the smiles and generate the cif in Elbow within the phenix suit or other ligand software within ccp4. Just be careful if the ligand contains ions, which could cause some issues. Regards, Jiazhi ________________________________ 发件人: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> 代表 Martin Hu <wenhao.hu...@ucl.ac.uk> 发送时间: Thursday, August 15, 2024 2:44:46 PM 收件人: CCP4BB@JISCMAIL.AC.UK <CCP4BB@JISCMAIL.AC.UK> 主题: [ccp4bb] CIF file Cannot Open by Coot Dear [Recipient's Name], I have downloaded a CIF file of a ligand of interest directly from WebCSD, which was originally obtained from experimental crystallography research, and attempted to import it into Coot. However, Coot indicates that it cannot read the file for some reason. I've also tried opening the CIF file in JLigand, but encountered the same issue, with the program stating that it cannot read the file. I have already checked the file and confirmed that it contains all necessary descriptions about this ligand. Has anyone encountered a similar problem or know how to resolve it? Thank you in advance Best regards, Martin ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB<http://www.jiscmail.ac.uk/CCP4BB>, 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 CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
