[ccp4bb] MacPro Xeon NVIDIA Quadro FX4500 Stereo Nuvision problem

MacPro Xeon NVIDIA Quadro FX 4500 Stereo Nuvision problem We just bought a Mac Pro Intel Xeon (2x 2.66 GHz) computer with an NVIDIA Quadro FX 4500 graphics card, connected to a flat screen SGI monitor, and a Viewsonic G225fB CRT monitor.The Nuvision IR emitter which we connected to the Mac Pro

[ccp4bb] SGI monitor on Mac Pro

Hi folks, I just got a new Mac Pro (NVIDIA Quadro FX 4500 graphics card; Apple Cinema LCD display primary) and wonder if I can hook up the big ol' CRT monitor from a now-defunct SGI as my 2nd display. The monitor in question is a 21" SGI/Sony GDM-5411. I have to use two adaptors to atta

[ccp4bb] Torsion angle restraints

Echoing some previous comments, restraints on backbone torsion angles can give substantial improvements in low resolution refinements. I've seen it in several virus structure refinements 3.25A to 3.75A. Just have to make sure that you then don't use phi/psi angles as a validation. There is a ve

[ccp4bb] POSTDOCTORAL POSITIONS

POSTDOCTORAL POSITIONS Department of Pharmaceutical Sciences University of Pittsburgh Postdoctoral positions are available to study structural and molecular biology of nuclear hormone receptors in human diseases and drug discovery .

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

Merely encoding our state of knowledge of the space group into the file header doesn't introduce any additional constraint. The very fact that we are uncertain of the correct space group, whether or not that information is encoded, is already a constraint on what operations can be sensibly perform

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

Eleanor Dodson wrote: Offering a selection of space groups compatible with a point group will not require reindexing. Some point groups of course permit reindexing, but one hope you have chosen a consistent set as you combine data sets into an MTZ file - pointless and the GUI both offer ways to

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

Of course, you may need to re-index even if you have the right space group... Offering a selection of space groups compatible with a point group will not require reindexing. Some point groups of course permit reindexing, but one hope you have chosen a consistent set as you combine data sets i

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

Offering a selection of space groups compatible with a point group will not require reindexing. Some point groups of course permit reindexing, but one hope you have chosen a consistent set as you combine data sets into an MTZ file - pointless and the GUI both offer ways to check this. Phasing

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

Hi Kevin, I would say that the most useful place for this token will be in reduced-data land prior to getting phases - so for instance going into Phaser it could make a sensible choice about what spacegroups to test based on the accuracy information, likewise experimental phasing / dm programs. On

[ccp4bb] FW: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

me too -- Andrew J. Sharff, D.Phil, Senior Research Associate, Astex Therapeutics Ltd, 436 Cambridge Science Park, Milton Road, Cambridge, CB4 0QA. Tel: 01223 226208 Fax: 01223 226201 Email: [EMAIL PROTECTED] Web: www.astex-ther

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

This is great! But before we all get carried away, a quick reality check is in order. This isn't an area I've thought about, but my limited understanding raises the following issues Given that an MTZ file contains a cell, an indexing of the data, and possibly phases involving a choice of o

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

I recall that this has been discussed, more than once, on the ccp4-dev board and quite sensible solutions provided to this, for instance the inclusion of a one-character flag which would indicate the level of correctness of the spacegroup information - along the lines of L => Bravais lattice corre

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

I agree too! Martyn On Fri, 2007-11-09 at 13:54 +, Phil Evans wrote: > I agree > > On 9 Nov 2007, at 13:50, Eleanor Dodson wrote: > > > As I often say!!! The mtz format should carry point group and > > alternate SGs - then be upgraded when youknow the correct SG.. > > > > Eleanor > > > >

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

I am for it also. It is a god idea!! Garib On 9 Nov 2007, at 13:56, Ian Tickle wrote: I like it! -- Ian -Original Message- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Eleanor Dodson Sent: 09 November 2007 13:51 To: Phil Evans Cc: CCP4BB@jiscmail.ac.uk Subject: R

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

I like it! -- Ian > -Original Message- > From: [EMAIL PROTECTED] > [mailto:[EMAIL PROTECTED] On Behalf Of Eleanor Dodson > Sent: 09 November 2007 13:51 > To: Phil Evans > Cc: CCP4BB@jiscmail.ac.uk > Subject: Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's > > As I often say!!! T

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

I agree On 9 Nov 2007, at 13:50, Eleanor Dodson wrote: As I often say!!! The mtz format should carry point group and alternate SGs - then be upgraded when youknow the correct SG.. Eleanor Phil Evans wrote: It just picks the first in the list, to store in the output MTZ file, which can onl

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

As I often say!!! The mtz format should carry point group and alternate SGs - then be upgraded when youknow the correct SG.. Eleanor Phil Evans wrote: It just picks the first in the list, to store in the output MTZ file, which can only handle one (92 < 96) Phil On 8 Nov 2007, at 22:26, Brya

[ccp4bb] Collaborative Crystallography Program - Advanced Light Source

The Berkeley Center for Structural Biology (BCSB) is pleased to announce the launch of a Collaborative Crystallography Pilot Program (CC) at the Advanced Light Source in Berkeley. Through this program, scientists will be able to send protein crystals to BCSB staff researchers for data colle

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

It just picks the first in the list, to store in the output MTZ file, which can only handle one (92 < 96) Phil On 8 Nov 2007, at 22:26, Bryan W. Lepore wrote: when pointless (1.2.0) finds enantiomorphic SG's, what is the criterion for 'Selecting' one over the other? e.g. i ran pointless o