I wrote a small script that plot a few graphs from fcf files:
Anafcfweb
The script is in alpha stage with some improvements needed. I do not store the fcf/cif file on the server. However, the eps/png/pdf generated files are stored in a temp folder not publicly accessible.
It’s written in pure php. The original script was in python but I ported it to php because of the poor perfomance of the cgi interface on Debroglie. I also have an opcode cache for php, so it’s much faster.
About the html part, the graphs are rendered with flot. Flot is a plotting library using canvas. I tweaked it a little bit so it gives better performance with the thousands of data points that requires the graphs. Canvas is part of HTML 5 so do not expect any support in Internet explorer. The script is using a compatibility layer called excanvas for IE but it is extremely slow…
Everything is not rendered in canvas, so export of the graph is not possible directly. For this purpose I am generating a picture from the server with gnuplot. There is also a CSV export of the coordinates.
The graphs are interactive, you can peak a reflection to show all the variables, modify the weights and filter the reflections.
Almost everything is done via javascript and the script heavily depends on jquery.
The sources are here : Anafcfweb svn.
Example with the normal probability plot
Ok, so Pascal’s great idea and an idle lunch have seen me install a feed aggregator on the forum. Now this post will let me know if it is updating automatically! How cool is that?
I am looking around if a planet gathering rss feeds about crystallography or chemistry can be interesting. However, by looking at the websites of the software distributed here, none proposed rss feeds.
So, in the hypothesis I’ll set up a planet. Which feeds can I used? If you know any feeds that can be interesting, post it in a comment. If there is enough material, I’ll think about it.
PS: for those you don’t know what a planet is: in online media, Planet is a feed aggregator application designed to collect posts from the weblogs of members of an Internet community and display them on a single page. Here is an example: http://planet.fedoraproject.org/.
We must all congratulate Pascal on the fancy new look to debroglie.net, very nice.
There is a slight delay on the platon update as Ton has appeared to have altered the file structure a bit which I will have to update the SPEC to accommodate. Expect something this week though.
Today we will be updating for you kind and caring Linux people:
Release:
Version 250909:
- New ALERTS _314 & _908
- Minor Update (Refinement of ALERT_390 & 391)
Testing:
CCTBX
- Nightly build from the 24/09/09 to fix compatibility with Olex2
Then when my ADSL modem has stopped smoking and cooled off I may think about a new test-build of Olex2.
Also after talking with one of the Olex2 guys they are trying to stabilise their build process. Sticking to a more formal alpha/beta release. It would appear that they have released a Olex2 1.1 TAG which I suspect is the equivalent of our 1.0.3+ TAG in the test-repo. So the next release will be in the test repo as Olex2 1.1.0 and I will look to update the release repo with a 1.1 version in due course. To accommodate the alpha, beta stable builds I think I may adopt the gstreamer naming conventions good, bad and ugly but perhaps just have ugly = alpha, bad = beta and good = stable? Feedback would be appreciated. We are also likely to drop the svnTAG off the “good” release as well and no doubt require epoch increments to do so. Sorry!
If some ubuntu users get lost here, you can find deb package for olex2:
http://oz.plymouth.edu/~jsduncan/olex2/
Only 64 bits, but there are explanations to build your own.
At some point next week there will be a new Olex2 rpm uploaded to the test-repo. It will now require the CCTBX rpm as a dependency and will be built from the trunk svn rather than tag svn. It will also utilise the new olex2 updating system for the GUI. Let me know how it goes and remember to give feedback.
There is a rumor about an openSSH exploit affecting centos. Fedora 10 and 11 should be OK (openSSH 5.x branch).
http://isc.sans.org/diary.html?storyid=6742
Most probably a hoax.
Olex2 has now got a version – 1.0 and has been updated. This version resolves a lot of the annoying little issues.
The update is broken, the new rpm as a dependency problem.
The webserser on which the repo si running has been succesfully upgraded from centos 5.2 to centos 5.3.
