MolIso has been (is being) added to the testing-repo. For all distributions. Here is the blurb: Moliso is a program to generate color mapped transparent 3D iso-surfaces from experimental XD grid and gaussian cube files. Features * Correct transparency mode * Isosurfaces with adjustable colour gradient. * Atomic displacement ellipsoids (ADP’s) with xd.res-/xd.mas- or *cif-files. …
Category Archive: Debroglie
Nov
18
Permanent link to this article: http://blog.debroglie.net/2009/11/18/moliso/
Nov
05
Big Moves
Ok, so with no feedback to the contrary I’m working on the premiss that the latest test Olex2 is stable and happy and all is good with the world. My tests seem to show that it is so I am now in the process of committing it to be in the release repo. Along with …
Permanent link to this article: http://blog.debroglie.net/2009/11/05/big-moves/
Oct
25
Blog frequentation
There is an astonishing progression on the number of visitors. For this month, at the current trend, Debroglie.net will nearly receive 700 visitors. Next month, above 1200 visitors. I hope it will not continue this way, exponential increase is never a good idea Here the fitting (made with fytik, open source of course): 0.319344*exp(0.803458*x-0.835402)+274.245 2010 …
Permanent link to this article: http://blog.debroglie.net/2009/10/25/blog-frequentation/
Oct
04
xForum Recruitment Drive!
The xForum or the X-ray Forum is a place where chemical crystallographers, SMX people in general and even neutron crystallographers can go, chat, talk post problems and advice and generally be at Zen with each other. There are no pre-requisites to membership. If your a chemist and want some help with a structure an A-level …
Permanent link to this article: http://blog.debroglie.net/2009/10/04/xforum-recruitment-drive/
Sep
29
Statistics
I calculated some statistics on the usage of the repository. It’s from june 2009 to august 2009. Before then I was not keeping logs… The winner is platon 58 downloads followed by olex2 (47-52 downloads). Amazingly crystals-cmd is used??? I should update this one http://debroglie.net/statrpms/
Permanent link to this article: http://blog.debroglie.net/2009/09/29/statistics/
Sep
16
What’s on?
I am back on business! Summary cctbx Up to date ? In testing DRAWxtl Up to date ? F10, F9 edma Outdated EL5, F8, F9, F10 fox Outdated under review on fedora jana Up to date ? EL5, F9, F10,F11 olex2 reguraly updated EL5, F8, F9, F10,F11 openopt Not packaged yet opix In testing platon …
Permanent link to this article: http://blog.debroglie.net/2009/09/16/whats-on/
Aug
20
Coming Soon Opix
I’m currently preparing Opix for our little repo. It should be uploaded at some point today/this evening. This is one of the smaller installs but packs a punch in terms of its capabilities. Opix includes the PIXEL programs which is rather nice. Look out for Opix in the test-repo for your distribution! Find out more …
Permanent link to this article: http://blog.debroglie.net/2009/08/20/coming-soon-opix/
Aug
13
CCTBX to be released to testing repos soon……
Well my hand was forced by alterations to Olex2 so I’ve finally got around to playing with Pascal’s cctbx.spec. I’ve sorted of merged it with Cameron’s spec file so we now have a cctbx.spec which we can build cctbx for all Fedora breads. The only problem comes in that Centos is being a big baby …
Permanent link to this article: http://blog.debroglie.net/2009/08/13/cctbx-to-be-released-to-testing-repos-soon/
Jul
18
from httpd to lighttpd
The server was a bit slow, I am trying something else. I have no disk, data are all on a SAN and I only have 512MB of memory. The website is now running with lighttpd to save memory (hopefully) and fast-cgi with apc opcode cache to speed up things and avoid too many I/Os. I …
Permanent link to this article: http://blog.debroglie.net/2009/07/18/from-httpd-to-lighttpd/
Jul
13
New Program DRAWxtl
The rpm for DRAWxtl has been completed and will be on the testing repo tonight/tomorrow. Please let me know how you go with it. Here is a link to the program homepage: DRAWxtl The current version is 5.4 and the 4.4 cmdline will also be made and uploaded in due course.
Permanent link to this article: http://blog.debroglie.net/2009/07/13/new-program-drawxtl/
Recent fedora 15 updates
- Update: tonto-chem-2.3.20110915svn-1.fc15 September 16, 2011
- Update: tonto-chem-common-2.3.20110915svn-1.fc15 September 16, 2011
- Update: tonto-chem-mpich2-2.3.20110915svn-1.fc15 September 16, 2011
- Update: tonto-chem-openmpi-2.3.20110915svn-1.fc15 September 16, 2011
- Update: objcryst-fox-1.9.6.0-1.R1296.fc15 August 18, 2011