... and don’t forget the Mg++ ion Sent from my iPad
> On 23 Jul 2020, at 20:10, LMB <p...@mrc-lmb.cam.ac.uk> wrote: > > One way of approaching such modelling uncertainties is to build explicitly a > number of likely models, refine them and examine the difference maps > carefully to see whether you can convince yourself that one model is clearly > better than the others. At least then you will know whether the alternatives > are distinguishable > Phil > > Sent from my iPad > >>> On 23 Jul 2020, at 18:12, Reza Khayat <rkha...@ccny.cuny.edu> wrote: >>> >> >> Tried the homologues thing. There are homologues and I've done the fitting, >> but this is what I consider to be subjective. I'm certain the referee will >> ask: Given the quality of density for the nucleotide, how certain are the >> authors that a different fit is not possible? Have other fit poses been >> considered? >> >> >> >> Reza >> >> >> >> Reza Khayat, PhD >> Assistant Professor >> City College of New York >> Department of Chemistry and Biochemistry >> New York, NY 10031 >> From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Jon Cooper >> <0000488a26d62010-dmarc-requ...@jiscmail.ac.uk> >> Sent: Thursday, July 23, 2020 1:07 PM >> To: CCP4BB@JISCMAIL.AC.UK >> Subject: [EXTERNAL] Re: [ccp4bb] Modeling ATP/ADP >> >> Hello, do you have any homologues in the PDB with ATP, etc, bound as a >> guide? Coot is pretty good at fitting known ligands, and unknown ones, too! >> >> >> -------- Original Message -------- >> On 23 Jul 2020, 17:53, Reza Khayat < rkha...@ccny.cuny.edu> wrote: >> >> Hi, >> >> >> >> Can folks suggest programs for objectively docking ATP/ADP molecules into >> density? Our density is not so good, probably because of occupancy, and we'd >> like a less subjecting approach for modeling. Thanks. >> >> >> >> Best wishes, >> Reza >> >> >> >> Reza Khayat, PhD >> Assistant Professor >> City College of New York >> Department of Chemistry and Biochemistry >> New York, NY 10031 >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 >> >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 >> >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
