User contributions
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Jump to navigationJump to search- 22:02, 10 November 2011 diff hist +671 N How to compile PHASER to run on multiple CPUs (Linux) Created page with "Download the latest phaser source package, e.g. from [ftp://ftp.ccp4.ac.uk/ccp4/6.2.0/ccp4-6.2.0-phaser-cctbx-src.tar.gz CCP4 ftp server]. Untar the source code (this takes awhi..."
- 21:30, 10 November 2011 diff hist +162 N PHASER Created page with "Official PHASER documentation can be found on the [http://www.phaser.cimr.cam.ac.uk/ official website]. How to compile PHASER to run on multiple CPUs (Linux)"
- 18:12, 6 October 2011 diff hist +95 Combine multiple pdb files into NMR-style model current
- 17:59, 6 October 2011 diff hist +529 N Combine multiple pdb files into NMR-style model Created page with "An example here assumes that you have 10 pdb files generated by the simulated annealing in CNS, i.e. the files are named model_anneal_1.pdb, model_anneal_2.pdb, ..., model_anneal..."
- 17:53, 6 October 2011 diff hist +54 Useful scripts (aka smart piece of code) current
- 16:33, 17 February 2011 diff hist +390 Conditions prone to salt crystallization current
- 21:45, 4 January 2011 diff hist +11 Split NMR-style multiple model pdb files into individual models →Bash/awk one-liner
- 15:08, 16 December 2010 diff hist -89 Split NMR-style multiple model pdb files into individual models
- 15:06, 16 December 2010 diff hist +2 Calculate average I/sigma from .sca file current
- 15:06, 16 December 2010 diff hist +9 Print the shifts in individual atom positions current
- 15:05, 16 December 2010 diff hist +2 Get systematic absences from .sca file current
- 15:04, 16 December 2010 diff hist +602 Renumber files current
- 14:46, 15 December 2010 diff hist +228 Split NMR-style multiple model pdb files into individual models
- 14:43, 15 December 2010 diff hist +189 Split NMR-style multiple model pdb files into individual models
- 14:40, 15 December 2010 diff hist 0 Split NMR-style multiple model pdb files into individual models →Bash/awk one-liner
- 14:51, 14 December 2010 diff hist +60 Split NMR-style multiple model pdb files into individual models
- 14:49, 14 December 2010 diff hist +119 Print the shifts in individual atom positions
- 14:47, 14 December 2010 diff hist +242 Useful scripts (aka smart piece of code)
- 14:42, 14 December 2010 diff hist +55 Split NMR-style multiple model pdb files into individual models
- 14:42, 14 December 2010 diff hist +336 Split NMR-style multiple model pdb files into individual models
- 14:38, 14 December 2010 diff hist +323 N Split NMR-style multiple model pdb files into individual models Created page with 'This assumes that you have a correctly formatted pdb file that contains both MODEL and ENDMDL records. It gets split into individual pdb files names model_###.pdb. grep -n 'MOD…'
- 14:31, 14 December 2010 diff hist +69 Useful scripts (aka smart piece of code)
- 15:32, 10 December 2010 diff hist +29 Useful scripts (aka smart piece of code)
- 15:31, 10 December 2010 diff hist -3 Renumber files
- 15:30, 10 December 2010 diff hist +55 Calculate average I/sigma from .sca file
- 15:30, 10 December 2010 diff hist +55 Print the shifts in individual atom positions
- 15:29, 10 December 2010 diff hist +54 Get systematic absences from .sca file
- 15:28, 10 December 2010 diff hist +58 Renumber files
- 15:27, 10 December 2010 diff hist +525 N Renumber files Created page with 'Let's say you have a list of images named something_###.img with ### spanning 381-560, and you want to renumber them to be from 1 to 180. '''echo | awk '{for(i=1;i<181;i++) prin…'
- 15:06, 10 December 2010 diff hist +21 Useful scripts (aka smart piece of code)
- 14:48, 4 November 2010 diff hist +145 Calculate average I/sigma from .sca file
- 03:52, 2 November 2010 diff hist +469 N Calculate average I/sigma from .sca file Created page with 'This python script will analyze a .sca-file and print out the key statistics missing from the standard SCALEPACK log-file, namely <math><I/sigma></math> per resolution shell. Sy…'
- 03:42, 2 November 2010 diff hist -7 Useful scripts (aka smart piece of code)
- 03:41, 2 November 2010 diff hist +54 Useful scripts (aka smart piece of code)
- 16:40, 14 July 2010 diff hist +14 Morph with Chimera
- 16:39, 14 July 2010 diff hist +383 Morph with Chimera
- 16:28, 14 July 2010 diff hist +286 Morph with Chimera
- 16:53, 3 July 2010 diff hist +1,187 N Morph with Chimera Created page with 'Making a morph movie with UCSF Chimera is extremely easy. There are tutorials on the website [http://www.cgl.ucsf.edu/chimera/tutorials/tutorials.html], but here is an outline: …'
- 16:37, 3 July 2010 diff hist +60 Morphing current
- 16:33, 3 July 2010 diff hist +544 N Print the shifts in individual atom positions Created page with 'This can be done with one command line (albeit a rather long one). Below is the code with (remove backslashes if pasting as a single line) grep 'ATOM\|HETATM' file1.pdb file2.p…'
- 16:30, 3 July 2010 diff hist +52 Useful scripts (aka smart piece of code)
- 23:21, 11 December 2008 diff hist +1 Get systematic absences from .sca file
- 23:20, 11 December 2008 diff hist +901 N Get systematic absences from .sca file New page: Scalepack outputs only systematic absences, and not the rest of reflections. The best way to identify screw axis is probably to look at the whole set of reflections, so that you can compa...
- 23:01, 11 December 2008 diff hist +1 Useful scripts (aka smart piece of code)
- 22:58, 11 December 2008 diff hist +45 Useful scripts (aka smart piece of code)
- 22:53, 11 December 2008 diff hist +183 N Useful scripts (aka smart piece of code) New page: This page is a collection of scripts used to resolve variety of minor problems. Posts include brief description and the code. The list is still very short, so there is no hierarchy.
- 22:50, 11 December 2008 diff hist +48 Xtal computing
- 13:33, 26 June 2008 diff hist +517 Operating systems and Linux distributions →Irix (SGI)
- 16:11, 23 May 2008 diff hist 0 Crystals →Crystal Growth
- 16:11, 23 May 2008 diff hist -47 Crystals →Crystal Growth
