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: Subject: Re:

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 Be

[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 bu

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" 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: Wednesday, Septe

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 Mond

[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 wrote: > Dear Deepak Chand, > > (in my understanding) the error message tells you very detailed and > clearly how to resolve the problem. Maybe you could explain a l

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 functi