Hello,
I'm new in x-ray crystallography and trying to compute real-space
electron density for ligands. The goal is to evaluate match of ligands
with density peaks (like computing local R values in real space). What
would be the best electron density function that considers ligand atomic
numbers/radii, density map resolution, and some local protein
information (to estimate B values of ligand atoms)?
Thank you in advance.
Qing Zhang
begin:vcard
fn:Qing Zhang, Ph.D.
n:Zhang;Qing
org:The Scripps Research Institute;Department of Molecular Biology
adr:mail MB-5;;10550 North Torrey Pines Road;La Jolla;CA;92037;U.S.A.
email;internet:[EMAIL PROTECTED]
title:Research Associate
tel;work:858-784-2333
tel;fax:858-784-2860
tel;cell:917-509-3182
url:http://www.scripps.edu/~qzhang
version:2.1
end:vcard
