Dear Kay,
I would be very much interested in receiving the OpenMP patches for cns.
Will I need a specific compiler?
Thank you.
Regards
Fred
[32m***
Fred Dyda, Ph.D.
All,
It appears that I have just accidentally uncovered an important feature of the
new ccp4bb: on the old bb your default e-mail reply was to the author of the
original e-mail only, while on the new one the default goes to the bb and not
(explicitly) to the original author.
I would vote
Dear Kay,
Of course we would like to try. We are still (!) working on converting our
facility (as I have discussed off and on with you) to more novel computers,
with more novel programs and a better setup.
Just yesterday I had decided that it would be good to follow your example to
use ifor
OpenMP parallelization of CNS 1.2
=
I have worked out how to efficiently parallelize CNS. To use this,
you'll have to patch the source code. The patch leaves the source code
practically unchanged, because it only inserts lines that start with
"!$"
and are therefore
PROTEIN CRYSTALLOGRAPHY STATION AT LANSCE -- CALL FOR PROPOSALS
for Run Cycle Beginning the Week of June 4 2007
You are invited to apply for beam time on the neutron Protein
Crystallography Station (PCS) at the Los Alamos Neutron Science Center. The
deadline for submitting proposals is 6:00
On Jan 19, 2007, at 4:20 PM, Steve Lane wrote:
Agreed. If at all possible, please resume use of the [ccp4bb]
Subject:
tag.
I'll add another vote for the [ccp4bb] tag.
--
Steve Lane
System, Network and Security Administrator
Doudna Lab
Biomolecular Structure and Mechanism Group
UC Berkele
Agreed. If at all possible, please resume use of the [ccp4bb] Subject:
tag.
--
Steve Lane
System, Network and Security Administrator
Doudna Lab
Biomolecular Structure and Mechanism Group
UC Berkeley
On Fri, Jan 19, 2007 at 04:02:20PM -0500, [EMAIL PROTECTED] wrote:
> On 19 Jan, Andy Purkiss wro
On Fri, Jan 19, 2007 at 08:33:09PM +, Andy Purkiss wrote:
> Quoting Juergen Bosch <[EMAIL PROTECTED]>:
>
> > Andy Purkiss-Trew wrote:
> >
> > >Dear Charles (and the rest of the bulletin board)
> > >
> > >I have a question regarding the new version of the software.
> > >
> > >Can the [ccp4bb]
On 19 Jan, Andy Purkiss wrote:
> I know that it is an easy fix :)
>
> However, nearly all of the lists that I am on use the [listname] notation and
> this makes it a bit easier to sort out the lists from the personal mail. I'm
> more likely to look at something with [ccp4bb] and not just skip
Quoting Juergen Bosch <[EMAIL PROTECTED]>:
> Andy Purkiss-Trew wrote:
>
> >Dear Charles (and the rest of the bulletin board)
> >
> >I have a question regarding the new version of the software.
> >
> >Can the [ccp4bb] be put in front of the message subjects again? I use
> >this in my e-mail filter
Thanks a bunch.
Raji
Kumar, Abhinav wrote:
Raji,
Here is a perl script to do it.
The cut-off distance to flag two waters identical is set to 0.3. You can change
it as you wish.
Also, water residues are named HOH.
Thanks
Abhinav
-Original Message-
From: CCP4 bulletin board [
Raji Edayathumangalam wrote:
I have superimposed one structure on top of another. Now, I am
interested in only displaying the water molecules that are identical
between the two structures. MolA has ~3000 waters and molB has ~900
waters. There are ~330 water molecules identical between the two
Raji,
Here is a perl script to do it.
The cut-off distance to flag two waters identical is set to 0.3. You can change
it as you wish.
Also, water residues are named HOH.
Thanks
Abhinav
-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Raji
Eday
Andy Purkiss-Trew wrote:
Dear Charles (and the rest of the bulletin board)
I have a question regarding the new version of the software.
Can the [ccp4bb] be put in front of the message subjects again? I use
this in my e-mail filtering, to get the ccp4 stuff out from under the
groaning weight of
Hi Everyone,
I think there might be a very simple way to do this but I don't know the
easy way out.
I have superimposed one structure on top of another. Now, I am
interested in only displaying the water molecules that are identical
between the two structures. MolA has ~3000 waters and molB h
Dear Charles (and the rest of the bulletin board)
I have a question regarding the new version of the software.
Can the [ccp4bb] be put in front of the message subjects again? I use
this in my e-mail filtering, to get the ccp4 stuff out from under the
groaning weight of spam into its own folder.
-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1
Hi Daniel;
Maybe you want to try to perform the refinement of Se and the phase
computation using either SHARP or PHASER which will anyway give you
better HL coefficients than MLPHARE Then you'll get much better
density after solvent flatten
Daniel,
Try giving non-zero values for the ISOERROR.
If that doesn't work, post your Se site coordinates, space group and
unit cell parameters.
This may also be a special case with P1, in that the origin can be
anywhere. Try fixing one of your atoms to a specific coordinate (don't
refine it
Hi everyone
I am trying to refine Se sites (obtained by SHELXD) using Mlphare
programme. The dataset is SAD dataset, space group is P1. When I try to
refine 'xyz and alternate OCC and B values' with following script:
title [No title given]
labin FP=F SIGFP=SIGF
FPH1=F SIGFPH1=SIGF
DPH1=DANO
Dear All,
the list has been moved, and we will be moving the archive, probably
on Monday.
The new list is handled by jiscmail at www.jiscmail.ac.uk . This
site allows an e-mail address to subscribe to the list, and manage
other elements of their subscription (such as receiving digests).
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