Re: [ccp4bb] Contradictory result between ITC and cocrystal structure

Beside no change in enthalpy, was there no change in the entropy and affinity? Pankaj Kumar Chauhan, PhD Assistant Professor Ramalingaswami Fellow Department of Biochemistry Jamia Hamdard University (Institute of Eminence by Govt. of India) Hamdard Nagar, Delhi, India 110062 Skype: pankajimtech P

Re: [ccp4bb] Twinning/Spacegroup Woes

As Aleks is suggesting, lower symmetry would be better. I had similar issues with one of my protein with unit cell dimensions 57, 57, 256. Xtriage suggested suggested three 2-fold merohedral twin operators (-h,-k,l; h,-h-k,-l; and –k,-h,-l). I went to lower symmetry (P31) and applied twinning law

Re: [ccp4bb] CCP4 setup (LIBCHECK)

msley/coot/ > > and choose the right version. > > Best regards! > > Lu > > > > -- > 卢作焜 > 南开大学新生物站A202 > > Lu Zuokun, Ph.D. Candidate > College of Life Science, Nankai University > > 在 2015-07-03 02:41:03，"Pankaj Chauhan" > 写道： > > Dea

Re: [ccp4bb] CCP4 setup (LIBCHECK)

Dear Paul, The software is coot-Linux-x86_64-ubuntu-14.04. Have I made any mistake in installing or executing any file of coot during installation (there is a file, LIBEXEC). thanks Pankaj On Thu, Jul 2, 2015 at 1:41 PM, Paul Emsley wrote: > On 02/07/15 18:01, Pankaj Chauhan wrote: > >

[ccp4bb] CCP4 setup (LIBCHECK)

Hi, I have installed ccp4 and phenix on ubuntu 14.04 LTS. When I open coot while using phenix or ccp4 and try to load a molecule from a Search Monomer library, it is unable to load the molecule and this pop up " You need to setup CCP4 (Specifically LIBCHECK) first. I will appreciate if someone c

Re: [ccp4bb] 3BDN, 16.5% Ramachandran Outliers!!!!!

Hi, Such kind of discussion are really great and fruitful. thanks Pankaj On Mon, Apr 27, 2015 at 12:25 PM, Dale Tronrud wrote: > -BEGIN PGP SIGNED MESSAGE- > Hash: SHA1 > > >This particular model was deposited in early December of 2014, so > the authors had the validation report in

Re: [ccp4bb] Crystallization issue

Hi, I got this kind of drop many times with PEG and MPD conditions. It will be very interesting to study this. Pankaj On Tue, Jan 6, 2015 at 7:30 AM, Hargreaves, David < david.hargrea...@astrazeneca.com> wrote: > On the face of it, I wouldn’t get overly excited by the drop. However, > I’ve be

[ccp4bb] How to reduce free-R factor

no use. Even i have the same structure with some complex at 1.86 A in the same space group , but everything is fine in that. Any suggestion, Regards, -- Pankaj Chauhan Senior Research Fellow, Graduate student Crystallography Laboratory Division of Protein Science & Engg. IMTECH , Chandi

Re: [ccp4bb] methews coefficient and validation of 60mer

Hi, Thanks to all for kind replies I got my output using PHENIX phenix.xtriage filename.sca residues=no.of residues and again thanks Peter Zwart On Wed, Dec 2, 2009 at 12:57 PM, Pankaj Chauhan wrote: > Hi , > In one of my 60mer structure at 3.5 A, , when I run methews in ccp

[ccp4bb] methews coefficient and validation of 60mer

egion. KIndly give some suggestion and help, Regards, -- Pankaj Chauhan Senior Research Fellow, PhD Scholar Crystallography Laboratory Division of Protein Science & Engg. IMTECH , Chandigarh, INDIA