Re: [ccp4bb] Survey on computer usage in crystallography

2007-06-21 Thread Charlie Bond
I find that in a large proportion of cases depth-cued graphics without stereo are enough (e.g. quickly examining a structure, rebuilding in a refined map, tracing at 2.4 A), and indeed I do most of my graphics work on a laptop. But, when you are lost in a poorly-phased 3.5 A map of a structure

Re: [ccp4bb] Popularity of Stereo graphics in crystallography

2007-06-21 Thread david lawson (JIC)
I haven't used stereo since the last millenium - I don't miss it. You don't really need it and it's not worth the expense/hassle to set up. In my opinion it's just something to impress visitors! Dave --- Dr. David M. Lawson Biological Chemistry Dept., John Innes

Re: [ccp4bb] mac pro configuration for crystallographic computing

2007-06-21 Thread Tim Grune
I should apology for my unqualified remark (initiated by a personal note to me). I do appreciate and like grasp. From my experience, though, the appearance of an electrostatic surface representation is so much dependent on the parameters, on the input PDB-file (presence of ligands, waters,

Re: [ccp4bb] Popularity of Stereo graphics in crystallography

2007-06-21 Thread Latchem, MJ (Mike)
I have found stereo essential for building low resolution structures where data beyond 3.3A is not available, I must also say that I have found it unnecessary for any structures which there is data (with decent phases) to 3A and beyond. The question is, is it worth spending a substantial

Re: [ccp4bb] Popularity of Stereo graphics in crystallography

2007-06-21 Thread Richard Engh
It seems not so long ago that people were interested not only in stereo graphics, but also in research into interactive gloves etc. for maximal virtual reality in manipulating protein structures, feeling forces, etc. To simulate depth by rendering solvent accessible surfaces with shadows and

[ccp4bb] eCheminfo Autumn Meeting Program available

2007-06-21 Thread barry . hardy
Schedule, Abstracts and Biographies for the eCheminfo Autumn Community of Practice meeting program at Bryn Mawr College, Philadelphia in October on "Latest Advances in Drug Discovery Development" are now available through the eCheminfo website:

[ccp4bb] Research Fellow in Structural Biology of Tuberculosis

2007-06-21 Thread Klaus Fütterer
Research Fellow School of Biosciences University of Birmingham We seek a highly motivated Research Fellow to join an interdisciplinary research team working on structural and biochemical aspects of cell wall synthesis in the pathogen Mycobacterium tuberculosis, in a thriving research

Re: [ccp4bb] Stereo grpahics and Virtual Reality

2007-06-21 Thread Stephen Graham
Full VR systems with motion tracking and are now affordable to most labs (~$2500 for all the peripherals). Nintendo Wii remotes are about £25 and they do 3-dimensional motion tracking. Perhaps we should by trying to use them for refinement instead? They communicate via the Bluetooth protocol

Re: [ccp4bb] Stereo grpahics and Virtual Reality

2007-06-21 Thread Andreas Forster
For the benefit of overworked and stressed-out graduate students and post-docs, funding agencies need to be convinced that the remotes cannot be bought without the console. Andreas Stephen Graham wrote: Full VR systems with motion tracking and are now affordable to most labs (~$2500 for

[ccp4bb] Fitting molecule B7G or B8G using COOT

2007-06-21 Thread U Sam
Hi everybody, I am trying to short out to fit a molecule into a density but having problem. It is n-beta-octyl-glucopyranoside into a electron density of my structure. The coordinate of this molecule I got from different from PDB. n-beta-octyl-glucopyranoside was present in the crystallization

Re: [ccp4bb] Stereo grpahics and Virtual Reality

2007-06-21 Thread Artem Evdokimov
And obviously, each crystallography lab should invest in a Wii station with a full complement of games - for training purposes. Artem -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Stephen Graham Sent: Thursday, June 21, 2007 10:46 AM To:

[ccp4bb] Save image in Postscript format from PYMOL

2007-06-21 Thread shi jiahai
Hi, all I am drawing some stereo images with label by PYMOL. But the label interfere with protein. I try to output to Postscript format so that I can change the position of label. However, I can't output the image to Postscript format in Pymol. Is there anyboy know how to save image in