[ccp4bb] Milestones in Crystallography

2011-06-19 Thread Lena Griese
Dear CCP4ers, after 3 years without working in structural biology and crystallography, this summer I will have my PhD defence. As I am now working in a complete different field I would be happy to know what happened in structural biology the last years worth to mention. Is there finally the solve

Re: [ccp4bb] Milestones in Crystallography

2011-06-19 Thread Frank von Delft
Oh wow, talk about challenging a community to confront their own worst fears of stagnation and irrelevance! Hehe - never mind cat in the pigeons, more like a man-eating tiger in a shanty-town. Wouldn't top of the list be dwindling budget priority? :-) But okay, back to specifically

Re: [ccp4bb] Milestones in Crystallography

2011-06-19 Thread George M. Sheldrick
Dear Lena, Structural biology has made enormous progress in the last two decades but it has essentially been a cumulative process involving many people and ideas. If you have to restrict the choice to a solve structure button within the last three years then I would vote for Isabel Uson's

Re: [ccp4bb] Milestones in Crystallography

2011-06-19 Thread Richard Edward Gillilan
Three years is starting to be a reasonable time interval to see interesting scientific progress. On the 1 or 2 years time scale it is hard, as anyone organizing annual meetings will tell you. One thing I would do is to browse the abstracts of the most recent American Crystallographic

Re: [ccp4bb] Off topic question. NACCESS

2011-06-19 Thread VAN RAAIJ , MARK JOHAN
Dear Armando, don't know about NACCESS, but I guess it is superseded by AREAIMOL in CCP4 (also in CCP4i); it outputs the accessible volume per atom in the pdb file and per residue and per chain and some other statistics in the log-file. Mark Quoting Armando Albert: Does anyone has got some

Re: [ccp4bb] Off topic question. NACCESS

2011-06-19 Thread Iain Kerr
Hi Armando, The information can be found here: http://www.bioinf.manchester.ac.uk/naccess/ It looks like you'll need to compile it from source code. I can help you with this, if you're unsure. It also plugs in nicely to the excellent LIGPLOT, which I have found incredibly useful (and, by

Re: [ccp4bb] Off topic question. NACCESS

2011-06-19 Thread Jacqueline Vitali
I think one of the options of PISA is to calculate accessibilities -- I recall when I was learning how to use pisa that I saw this option. Also DSSP outputs accessibilities per residue Areaimol in ccp4 does too. I have seen many programs in the internet, google accessibilities, accessible

[ccp4bb] Surface complementary output

2011-06-19 Thread Rojan Shrestha
Hello, Does somebody know the meaning of output of SC? What is the meaning of From and To in Distance between surfaces? From To Area Cumulative_Area % Cumu. % Similarly, what is the meaning of surface complementarity? From To Number

Re: [ccp4bb] PyMol APBS Tools ERRORS

2011-06-19 Thread atul kumar
dear cai this is just because of problem with your pdb file,just try to remove alternate confirmations from the pdb,it will work for you. all the best regards Atul Kumar IGIB Delhi India On Sun, Jun 19, 2011 at 10:46 AM, Qixu Cai caiq...@gmail.com wrote: Dear all, When I use APBS Tools2