Hi, I would try https://project-gemmi.github.io/wasm/mxdepo.html
It worked nicely for me recently. Marcin Wojder, who wrote this package, will be happy to help you, I'm sure. Good luck, Boaz Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben-Gurion University of the Negev Beer-Sheva 84105 Israel E-mail: [email protected] ________________________________ From: CCP4 bulletin board <[email protected]> on behalf of Palm, Gottfried <[email protected]> Sent: Friday, February 9, 2024 7:54 PM To: [email protected] <[email protected]> Subject: [ccp4bb] mtz/cif file for depostion Dear all, I have problems preparing my experimental data (XRD) for deposition. I have two mtz files, which work well for refmac5, with an FREER column in one file and Iplus, SIGIplus, Iminus, SIGIminus columns in the second file. I merged them into one mtz file with cad (in ccp4i). The validation server doesn't take two separate mtz files, but complains about missing data in the merged file. I guess because FREER ended up in "Columns common to all datasets" and the other columns in "Dataset #1: 356211/DEFAULT/NATIVE". Can I somehow move the FREER column to Dataset #1? With "Merge experimental data objects to MTZ Export 'old' style MTZ file" in ccp4i2, the problem is the same. I also tried converting to cif many ways, but failed. I have used OneDep at EBI. Best Regards Gottfried ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## 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/
