Re: [ccp4bb] paper

2014-09-03 Thread William G. Scott
On Sep 2, 2014, at 9:10 PM, Avisek Mondal avisekmonda...@gmail.com wrote: please can you send me this paper... i can not subscribe it from my lab... Acta Cryst. (2014). F70, 1296-1302[ doi:10.1107/S2053230X14014381 ] No problem: http://tinyurl.com/n3gurpe

[ccp4bb] Coot: get map mean, sigma, max, min from make-and-draw-map

2014-09-03 Thread Alejandro Virrueta
Hi, Is there a way to make the function 'make-and-draw-map' return the values of the map mean, sigma, max, and min? I invoke this function in a python script, and the map values are printed to the command line. However, I would like my python script to access these values in order to set up some

Re: [ccp4bb] Coot: get map mean, sigma, max, min from make-and-draw-map

2014-09-03 Thread Paul Emsley
On 03/09/14 07:24, Alejandro Virrueta wrote: Hi, Hi. For what it's worth, the coot mailing list may be more appropriate for this sort of question. Is there a way to make the function 'make-and-draw-map' return the values of the map mean, sigma, max, and min? No. I invoke this

[ccp4bb]

2014-09-03 Thread Eleanor Dodson
Edit the file and remove the second entry of the atom. Then worry how it got there! Eleanor On 2 September 2014 08:40, Tim Gruene t...@shelx.uni-ac.gwdg.de wrote: Dear Deepak Chand, (in my understanding) the error message tells you very detailed and clearly how to resolve the problem. Maybe

Re: [ccp4bb] paper

2014-09-03 Thread Keller, Jacob
Can you do this for structural biology? JPK -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of William G. Scott Sent: Wednesday, September 03, 2014 2:07 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] paper On Sep 2, 2014, at 9:10 PM, Avisek

Re: [ccp4bb] paper

2014-09-03 Thread Scott Classen
I think he just did ;-) Sincerely, Scott On Sep 3, 2014, at 6:05 AM, Keller, Jacob kell...@janelia.hhmi.org wrote: Can you do this for structural biology? JPK -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of William G. Scott Sent:

[ccp4bb] Database for peptides in pdb format

2014-09-03 Thread Kgosisejo, Oarabile
Hello all, Is there a database for peptides in a pdb format? I am investigating the structure-function of a dipeptidase and I would like to dock a dipeptide, substrate (e.g. Leucine-Proline), on the active site but I have no idea where I can get the dipeptides for that. I searched in the PDB

Re: [ccp4bb] Database for peptides in pdb format

2014-09-03 Thread Bernhard Lechtenberg
Hi, if you just want a dipeptide, the easiest is probably to build one in PyMOL: Build - Residue - Leucine then Proline. You can save it in PDB format using File - Save Molecule… You can probably do the same in Coot or JLigand if you want to use CCP4 programs. Hope that helps, Bernhard

Re: [ccp4bb] Database for peptides in pdb format

2014-09-03 Thread Kgosisejo, Oarabile
Hi Bernhard, I just built the dipeptide in PyMol. Thank you very much. Best Regards, Oarabile M. Kgosisejo o.kgosis...@usask.ca From: Bernhard Lechtenberg [blechtenb...@sanfordburnham.org] Sent: September 3, 2014 12:50 PM To: Kgosisejo, Oarabile Cc: