Dear all,
Could somebody point me to a good tool that providing a pdb id, could
analyze its ligand(s) and distinguish between crystallographic agents
and putative drugs.
Many thanks in advance,
Nicolas
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Dear CCP4bbs,
I am dealing with a case involving pseudo-translational symmetry.
I wanted to know what was the simplest way to draw NCS copies of a
molecule deduced from the positions I observed in native Patterson. Is
there a "translate" option where on can give fractional coordinates in
Coot
king forward to hearing from you
Thanks...
Raja
BMR - a key player in weight issues. Know more.
<http://in.rd.yahoo.com/tagline_glue_4/*http://in.search.yahoo.com/search?&fr=na_onnetwork_mail_taglines&ei=UTF
r system.
--
Nicolas Soler
Institut de Chimie des Substances Naturelles
91190 Gif-sur-Yvette
tel 33-1-69823764
fax 33-1-69823784
http://perso.nicodam.org/
#!/usr/bin/perl -w
#
Dear experts,
I am dealing at the moment with a case involving translated NCS copies
of my asymmetric unit along one axis of the unit cell (3 clear
non-origin peaks in the native Patterson).
I could get Mosflm to find the corresponding big unit cell only after
restricting the "max deviation
: 972-8-647-2992 or 972-8-646-1710
From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Nicolas Soler
[nso...@mrc-lmb.cam.ac.uk]
Sent: Monday, September 23, 2013 5:04 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] tNCS: indexing and EP prob
t set of images to collect spots from, play with the things you
let XDS refine (REFINE(...)) and finding the correct ORGX and ORGY.
In difficult cases I use adxv to get an estimate for the cell
dimensions to judge whether or not XDS found the correct one.
Best,
Tim
On 09/23/2013 04:04 PM, Nicolas
Hi Veronica,
Fragment-based molecular replacement programs such as ARCIMBOLDO are
based on PHASER /SHELXE jobs parallelization over multiple CPUs in a
single machine or in a cluster.
All the best,
Nicolas
On 11/23/2018 11:30 AM, V F wrote:
Dear all,
Which programs benefit from multi-cpu c
ain...@gmail.com> /
vi...@icgeb.res.in <mailto:vi...@icgeb.res.in>
--
Nicolas Soler
Roger Williams group
MRC Laboratory of Molecular Biology
Francis Crick Avenue
Cambridge CB2 0QH
United Kingdom
phone : +44(0) 1223 26 76 20
mail : nso...@mrc-lmb.cam.ac.uk
er my
last Sharp run looks interesting. Do people usually try to combine the 2
approaches (traditional + statistical density modification?). What is
your favourite approach?
Thanks,
Nicolas
--
Nicolas Soler
Roger Williams group
MRC Laboratory of Molecular Biology
Francis Crick Avenue
Cambridg
information is available (6.5A in my case)
and I get excellent indicators only if I do that (they become horrible
if I use the full resolution range). How about phase extension ? Which
parameters would you then use?
Thanks,
Nicolas
--
Nicolas Soler
Roger Williams group
MRC Laboratory of
B2 0XY, U.K.
www-structmed.cimr.cam.ac.uk
--
Nicolas Soler
Roger Williams group, PNAC
MRC Laboratory of Molecular Biology
Francis Crick Avenue
Cambridge CB2 0QH
United Kingdom
phone : +44(0) 1223 26 76 20
mail : nso...@mrc-lmb.cam.ac.uk
Dear all,
Is there a pipeline that will find NCS operators from a map, select the
relevant ones and apply them all in NCS averaging density modification?
Otherwise, what would be the best way to proceed ? (I have a P21
spacegroup so I wonder what happens with the origin when I pass the NCS
op
Dear all,
My question concerns the Extension-> modelling-> Rigid body fit residue
ranges function in Coot. Although it works well through the interface, I
cannot have it to work in a python script, does somebody know the
correct syntax?
Thanks in advance,
Nicolas
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