[phenixbb] van der Wall's radii

Nigel Moriarty nwmoriarty at lbl.gov
Fri Aug 15 12:03:59 PDT 2014


You can find this information in the ener_lib.cif and geostd_ener_lib.cif
(changes to the standard Monomer Library values to match the Molprobity
values). These files are in $PHENIX/chem_data/mon_lib and
$PHENIX/chem_data/geostd respectively.



On Fri, Aug 15, 2014 at 10:52 AM, Rituparna Sengupta <rsengupta at wisc.edu>

> Hi!
> I'm new to the list. This might be a naive question to ask, but I'm
> looking for information about the set of van der Waal's radii popular with
> most protein crystallographers. Is there a certain list that phenix uses
> for building from the x-ray structures. If so, where can I find it. I shall
> be grateful for any thoughts or inputs on this.
> Thanks,
> Ritu
> Rituparna Sengupta
> Graduate Student
> Biophysics Graduate Program
> Record Lab
> Department of Biochemistry
> Biochemical Sciences Building
> University of Wisconsin-Madison
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb

Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty at LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov
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