from:"Deepthi"

Re: [ccp4bb] Negative electron Density for Zinc

2012-08-29 Thread Deepthi

Thank You very much everyone. I took all your suggestions into consideration. I was able to solve the problem Thank You once again Deepthi On Tue, Aug 28, 2012 at 5:07 PM, Pavel Afonine wrote: > Hi Deepthi, > > 1) refine anisotropic ADPs for Zn, > 2) make sure charge is accoun

[ccp4bb] Negative electron Density for Zinc

2012-08-28 Thread Deepthi

Hi Everybody Thank You very much for your suggestions. I did play around with Zinc occupancy by giving 0.5 to each of them. I got rid of the negative electron density. But i think it still needs to be refined. Thank You very much once again Deepthi

[ccp4bb] Negative electron Density for Zinc

2012-08-28 Thread Deepthi

e the Zinc atoms( I am new to crystallography) . I calculated the structure factors using FFT from CCP4 and it shows the same. I don't understand the problem. It refines well in Refmac and B-factors also look very good. Anyone know what the problem is? Thank You in advance Deepthi -- Deepthi

Re: [ccp4bb] Regarding refinement in Refmac5

2012-07-19 Thread Deepthi

chain its just not accepting. May be it is not the correct solution? Is it possible? Thank You Deepthi On Thu, Jul 19, 2012 at 7:04 AM, Eleanor Dodson wrote: > It isn't that your space group is wrong, but are you sure that your mtz > file has that space group in its header? > MR

Re: [ccp4bb] Regarding refinement in Refmac5

2012-07-18 Thread Deepthi

again. Appreciated Deepthi On Wed, Jul 18, 2012 at 10:02 AM, Garib N Murshudov wrote: > Can you check space group in your mtz and pdb? I have seen this happening > when they disagree. > It is annoying and I would like it to be sorted out. If you want you can > send your data and I can t

Re: [ccp4bb] Regarding refinement in Refmac5

2012-07-18 Thread Deepthi

nk youvery much for the help Deepthi On Wed, Jul 18, 2012 at 9:36 AM, Vellieux Frederic wrote: > Hi there, > > Not much information provided. How was the initial model refined ? Phenix > ? It could be a problem with the Refmac refinement protocol (difficult to > say with so l

[ccp4bb] Regarding refinement in Refmac5

2012-07-18 Thread Deepthi

ges to the Phenix generated model. I have no idea what is going on. Can anyone help me? Thank You in advance Deepthi

Re: [ccp4bb] problem in scaling the Zn-MAD data

2012-04-05 Thread Deepthi

, Clemens Vonrhein wrote: > Hi, > > On Wed, Apr 04, 2012 at 02:07:58PM -0700, Deepthi wrote: > > Hello everyone > > I have a problem scaling the MAD data which was collected a week ago.The > > data was collected at 1.5A resolution using three wavelengths for Zn-MAD > >