[ccp4bb] TFT monitors n stereo

2007-04-30 Thread Vineet Gaur
Hi all i have a non CCP4 query. pls tell me how to view stereo images on a TFT monitor. thanx vineet gaur

[ccp4bb] intel Xeon vs AMD Opteron for crystallographic applications

2007-05-14 Thread Vineet Gaur
Hi all we r planning to upgrade hardware in the lab. just curious to know weather anybody has tested a dual core xeon vs dual core opteron for standard crystallographic applications. Also wanted to know weather programs compiled on a xeon will have problems executing on an opteron. regards

[ccp4bb] Rfree and unaccounted density

2007-09-03 Thread Vineet Gaur
the strucure? thanx in advance Vineet Gaur

[ccp4bb] REFMAC and Hetroatoms

2007-09-18 Thread Vineet Gaur
dict:CA WARNING : residue: CL995 chain:Xa different element name: file:C dict:CA how can i rectify this problem thanx in advance vineet gaur

[ccp4bb] calculating molecular dimensions

2007-09-23 Thread Vineet Gaur
Hi All is there any programme available that can calculate the parameters like length of longest and shortest axis passing through the center of mass of a protein mlecule thanx in advance vineet gaur

[ccp4bb] alternate confirmations of residues

2007-09-24 Thread Vineet Gaur
LYS D 9382.408 41.844 91.093 0.50 38.72DO Thanks in advance vineet gaur

[ccp4bb] assigning water molecules to monomers

2007-10-03 Thread Vineet Gaur
to individual protein monomers. is there any program available by which i can identify the water molecules w.r.t protein monomers. thanks in advance Vineet Gaur

[ccp4bb] coot: Show Symmetry

2007-12-03 Thread Vineet Gaur
Hi All i want to display symmetry molecules in COOT, but regularly getting the following warning: There are no model molecules that can display symmetry (Cryst1 problem). How to troubleshoot this Cryst1 problem thanks in advance Vineet gaur

[ccp4bb] .cif file

2008-01-22 Thread Vineet Gaur
Hi all I am using COOT for model building and refinement. i have to introducea ligand in my model i have downloaded .cif file from RCSB. However while importing the cif file i m getting the warning message of having No restraints in the CIF file is there any problem in the format of the following

[ccp4bb] composite omit map calculation

2009-01-12 Thread Vineet Gaur
will stop immediately. topology and parameter files have been attached to this posting. Kindly suggest if there is any problem with topology or parameter file or i am missing on something else. with best regards Vineet Gaur mam.param Description: Binary data mam.top Description: Binary data

Re: [ccp4bb] molecular replacement

2010-05-21 Thread Vineet Gaur
Also check if you have correctly estimated no. of molecules in asymmetric unit. On Fri, May 21, 2010 at 4:58 PM, Tim Gruene t...@shelx.uni-ac.gwdg.de wrote: Dear intekhab, a few suggestions: - are you sure of the space group or might there be alternatives? - is you protein globular or

Re: [ccp4bb] Beginning crystallography text

2010-07-10 Thread Vineet Gaur
Hi, I found Crystal, X-rays and Proteins by Dennis Sherwood very helpful in understanding the basic concepts of crystallography. However, it seems that the book is out of print. It would be great, If anyone here is having an E-copy of this book and can share with us. Thanks, Vineet

[ccp4bb] JLigand: Handedness related issue

2011-07-21 Thread Vineet Gaur
(or Prodrg server) which I can use for generating the cif file and defining the link? Thanks, Vineet Gaur

[ccp4bb] JLigand: Handedness related issue

2011-07-21 Thread Vineet Gaur
(or Prodrg server) which I can use for generating the cif file and defining the link? Thanks, Vineet Gaur

Re: [ccp4bb] Freezing crystal

2012-02-05 Thread Vineet Gaur
Hi Theresa, Once I had crystals in 3.5 M Amm. Sulfate. I used Paraffin oil and Paraton-N-oil (in 1:1 ratio). I also used 30% Xylatol. Best, Vineet On Sun, Feb 5, 2012 at 5:49 PM, Theresa H. Hsu theresah...@live.com wrote: Hi all Is there a list of conditions to be tried *first* for