Re: [ccp4bb] Which version of ccp4 introduced i2run and/or where does it live?

to an individual reply I got: Evidently i2run is located in 7.0/7.1 installations at ccp4-7.1/share/ccp4i2/bin/i2run (and I was able to produce the same import_merged help documentation via that approach as well). Thanks! Maggie On Mon, Feb 19, 2024 at 3:37 AM Kay Diederichs < kay.diederi...@uni-konstanz

[ccp4bb] Which version of ccp4 introduced i2run and/or where does it live?

ine documentation, but all the information I could find seemed to assume that i2run was readily accessible given the existence of a ccp4 installation, so I'm a bit stumped. Many thanks, Maggie To unsubscribe from the CCP4BB list,

[ccp4bb] switching space group

Hi, I have a structure which should have space group P212121, but it has been processed to P21212. It can not be solved and refined. Right now I do not have HKL2000, but I need change the space group to P212121. Is there a way for me to do this using CCP4? Thank you, Maggie

Re: [ccp4bb] AW: [ccp4bb] insertion code problem

Auftrag von *MAGGIE *Gesendet:* Mittwoch, 26. Juni 2013 04:07 *An:* CCP4BB@JISCMAIL.AC.UK *Betreff:* [ccp4bb] insertion code problem Dear group, I have a insertion code question. I used molecular replacement (CCP4, autoMR) to solve two structures: one is monomer

[ccp4bb] insertion code problem

Dear group, I have a insertion code question. I used molecular replacement (CCP4, autoMR) to solve two structures: one is monomer, and another one is tetramer. The model I used is one chain of a dimer and the model has insertion code. After molecular replacement and refinement using refmac5 in

[ccp4bb] GPCR DOCK 2013 announcement

Since there may some on this bb who have modelers as colleagues... On behalf of the PSI GPCR Network group: -- Dear GPCR modeling and docking researcher, We are writing to announce the 3rd round of the GPCR Docking and Modeling Assessment, GPCR Dock 2013, and to