Dear colleagues & friends, I am currently out of office with limited accesses to my mail. I will be back on the 18th of May. Best Regards
On 15May, 2021, at 5:12 PM, David Gae via modeller_usage modeller_usage@salilab.org wrote:
> Dear ZHANG Cheng, > > Have you read these sections? > https://salilab.org/modeller/manual/node322.html > > I believe the Model uses the Biso to write a restraint energy values. Thats what I always see from my built models. > https://salilab.org/modeller/manual/node259.html#CMD:Selection.energy > > It looks like R factor is considered from CIF file too. > > Are you talking about partial occupancy or full occupancy with Xray structural file? > occupancy and B-factors are related. Full occupancy the great the B-factor. is this the question you are asking here? > > Also, have you tried to run occupancy of 0 on the PDB template versus occupancy of 1 on the PDB template and see if you get the same model? > > This seem like an interesting question to look up. > > Sincerely,David > > > > On May 15, 2021, at 1:25 AM, ZHANG Cheng 272699575@qq.com wrote: > Dear MODELLER, > > The occupancy value is the 57th-60th columns in the PDB file. Is this considered by MODELLER? For example, will a value of "0.00" or "1.00" have different effect (e.g. weights) for the modelling? > > I ask this because the Rosetta will ignore the lines with occupancy values of 0. I wonder if MODELLER does the same. > > Thank you! > > Yours sincerely > Cheng > _______________________________________________ > modeller_usage mailing list > modeller_usage@salilab.org > https://salilab.org/mailman/listinfo/modeller_usage > > _______________________________________________ > modeller_usage mailing list > modeller_usage@salilab.org > https://salilab.org/mailman/listinfo/modeller_usage