[ccp4bb] phenix.refine with ligand with ambiguous electron density

2020-11-24 Thread Nika Žibrat
wondering how, if even do I incorporate the polder map data into my refine input. My question is, how do I continue refining and validating the structure in this case? Thank you, Nika Žibrat To unsubscribe from the CCP4BB

Re: [ccp4bb] R free rising

2020-11-04 Thread Nika Žibrat
Hello, Two days ago I was asking about R free rising. The problem was xds adds R free flags already and then re-introduced them in Phenix, causing R free to rise. I would like to thank you for your answers, they were most helpful. Best, Nika From: Nika Žibrat Sent: ponedeljek, 02. november

[ccp4bb] R free rising

2020-11-02 Thread Nika Žibrat
Hello, I am trying to solve an X-ray structure of a protein of which the structure is already known. My aim is to only seek for ligands (soaking) and interpret any conformational changes. Since I am using a model with 100% sequence identity from PDB I am not doing Autobuild after Molecular