Dear All,
Thank you kindly for the replies and concerns over the problem I've
experienced. I really appreciate them.
I do not know how often the I - F conversion is done in CCP4i's F2MTZ GUI,
especially with the FreeR flags preserved. Nevertheless, as mentioned, the
problem seems to arise
but less
biased maps.
Fibre
diffraction folk do similar things when their Bessel function terms
overlap.
Cheers
Colin
From: CCP4 bulletin board
[mailto:ccp...@jiscmail.ac.uk] On Behalf Of Peter Chan
Sent:
27 October 2010 02:00
To: CCP4BB@JISCMAIL.AC.UK
Subject
Dear Crystallographers,
Thank you all for the emails. Below are some details of the procedures I
performed leading up to the problem.
The reflection file is my own data, processed in XDS and then flagging FreeR's
in XPREP in thin resolution shells. I am using CCP4i version 6.1.2. I tried
that -1 is not an
allowed
flag for (some) ccp4 programs.
Please let us know if this resolves the issue.
Tim
On Thu, Oct 28, 2010 at 10:21:20AM -0400, Peter Chan wrote:
Dear Crystallographers,
Thank you all for the emails. Below are some details of the procedures I
Hello,
I've been struggling with F2MTZ and importing my hkl file into mtz by 'keeping
existing freeR data'. I keep getting the error Problem with FREE column in
input file. All flags apparently identical. Check input file.
At the end of the day, it appears that this only happens in ctruncate
would very much appreciate any comments and suggestions.
Best,
Peter Chan
(if I recall correctly) during
twin refinement?
I would be very grateful for any help, comments and suggestions.
Best,
Peter Chan
without twin refinement? If Rfactors with and without twin
refinement are not very different then using twin would not make much sense.
regardsGarib
On 13 Oct 2010, at 16:01, Peter Chan wrote:Hello All,
I am a graduate student working on my first merohedrally twinned data set. Like
a few, I am
not used Bhat's omit maps before. I will give it a shot and see how it
may improve my model building.
Best,
Peter
Date: Wed, 13 Oct 2010 17:35:09 +0200
From: frederic.velli...@ibs.fr
To: pc...@hotmail.com
Subject: Re: [ccp4bb] Twin - Data reduction and refinement in Refmac
Peter Chan wrote
are Rfactors without twin refinement? If Rfactors with and without twin
refinement are not very different then using twin would not make much sense.
regardsGarib
On 13 Oct 2010, at 16:01, Peter Chan wrote:Hello All,
I am a graduate student working on my first merohedrally twinned data set. Like
a few
I believe you could try treating this Asp residue as an unnatural amino acid
(FAD-Asp), and refine your structure with it.
Peter
Date: Thu, 10 Sep 2009 15:27:58 +0100
From: kpodzelin...@gmail.com
Subject: [ccp4bb] Refinement of covalent ligand in Refmac5
To: CCP4BB@JISCMAIL.AC.UK
Hello!
a newer Refmac version?
Mark
Quoting Peter Chan pc...@hotmail.com:
Dear Eric,
Thank you very much for your suggestion. It worked.
Dear Paul,
Thank you for your kind offer with the help (and for writing such a
wonderful program + providing users with support!). I
-2738eric.ortl...@emory.edu
Date: Sat, 29 Aug 2009 07:02:12 +0100
From: paul.ems...@bioch.ox.ac.uk
To: pc...@hotmail.com
Subject: Re: [ccp4bb] Problem with Coot reading monomer library file.
Peter Chan wrote:
Dear Crystallographers,
I've been spending 10 hours trying (googling
Dear Crystallographers,
I've been spending 10 hours trying (googling, manually editting cif files
based on templates in Coot's library, asking around, rtfm and reading this bbs)
to figure out why Coot the geometric restraints wouldn't load.
The molecule I have is difluoroacetate (and some
14 matches
Mail list logo
