[ccp4bb] crashes of CCP4i2

you have any advice or suggestion? Thanks in advance, Best regards Luca Mazzei Luca Mazzei - PhD Laboratory of Bioinorganic Chemistry Department of Pharmacy and Biotechnology (FaBiT) Alma Mater Studiorum - University of Bologna Viale Giuseppe Fanin, 40 - 40127, Bologna - Italy Tel: +39

Re: [ccp4bb] H atoms in refined structure

result from a a REFMAC job, the ouput PDB file does not contain H atoms, while the mmcif output file does. At the end of the story, I ran pdbx/mmcif to convert the PDB in a mmcif file that does not contain H atoms anymore. It seems to work. Best regards Luca Mazzei Luca Mazzei - PhD Laboratory

[ccp4bb] H atoms in refined structure

give them either full or zero occupancy. Do you know how I can safely delete H atoms from the mmcif file prior deposition? Would this affect Rwork and Rfree calculated upon validation on the wwPDB? Thanks in advance, Luca Mazzei Luca Mazzei - PhD Laboratory of Bioinorganic Chemistry Department

Re: [ccp4bb] weight matrix selection

Thanks Tim and Jon. It is a Macc laptop, the font size was too big and “manual” was not visible in the drop-down menù. Good to know. Best, Luca Luca Mazzei - PhD Laboratory of Bioinorganic Chemistry Department of Pharmacy and Biotechnology (FaBiT) Alma Mater Studiorum - University of Bologna

[ccp4bb] possible solution with Phaser

ms (also looking at the maps) that it correctly places three monomers out of four. How can I use this information to improve the search of the fourth monomer using the same template model? Thanks in advance for your help, Best regards Luca Mazzei Luca Mazzei - PhD Laboratory of Bioino

Re: [ccp4bb] Refmac use - water addition

I am just asking for things which are not clear to me (maybe given my limited experience), starting from the assumption that my knowledge in refinement, model building and, more in general, protein crystallography, can always improve. Thanks for the precious help, Luca Mazzei Luca Mazzei

[ccp4bb] Refmac use - water addition

values? Thanks, Luca Luca Mazzei - PhD Department of Pharmacy and Biotechnology University of Bologna Viale Giuseppe Fanin, 40 - 40127 Bologna - Italy To unsubscribe from the CCP4BB list, click the following link: https

[ccp4bb] unable to launch ccp4 old interface on mac

efficient way? Thanks in advance, Luca Luca Mazzei - PhD Department of Pharmacy and Biotechnology University of Bologna Viale Giuseppe Fanin, 40 - 40127 Bologna - Italy To unsubscribe from the CCP4BB list, click the following

[ccp4bb] unable to launch ccp4 old interface on mac

, Luca Luca Mazzei - PhD Department of Pharmacy and Biotechnology University of Bologna Viale Giuseppe Fanin, 40 - 40127 Bologna - Italy To unsubscribe from the CCP4BB list, click the following link: https

[ccp4bb] COOT crashes when I merge molecules

Mazzei Luca Mazzei - PhD Department of Pharmacy and Biotechnology University of Bologna Viale Giuseppe Fanin, 40 - 40127 Bologna - Italy Il giorno 4 giu 2019, alle ore 09:02, Darren Hart mailto:darren.h...@ibs.fr>> ha scritto: You have to start it via the menu item, not the comman

[ccp4bb] weight term and geometry

the difference between Rfactor and Rfree. Any idea on how to solve the problem? Should I keep higher Rfree and worse stats with still having a peptide bond there? Thank you, Luca Luca Mazzei - PhD Department of Pharmacy and Biotechnology University of Bologna Viale Giuseppe Fanin, 40 - 40127