Hi Andre,
> - Is there any macromolecular crystallography software that can compute > Uhkl as above, or equivalent? > I estimate this can take about 10 minutes to script in CCTBX. I can write a script for you, if interested, and send off list. > - If not, would it be more correct to use the Wilson-B or the mean B from > the final model? > I'd guess mean B from the model is a better estimate. - How can F(000) be best estimated from the final model, which is not > necessarily always the most complete or best refined? Should we simply add > together the number of electrons for all the atoms refined in the > asymmetric unit (protein + ligands + solvent)? > See my previous email. Pavel ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
