even though I also don't fully understand the code, your interpretation
seems to make sense. I don't know a fix for the code. Yet, when I used
pdbset from ccp4-6.0.99e, this error did not occur (but did with pdbset
from ccp4-6.0.2). So if it's an option you might simply update to the
latest bet
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I believe I found the bug, but I don't understand enough to know how to
fix the code correctly.
In $CCP4/lib/src/mmdb/mmdb_rwbrook.cpp, lines 1546-1561:
if (FTN_STR(ID)[0]==' ') {
atomName[0] = char(0);
if ((FTN_STR(AtNam)[1]=='H') ||
((FTN_STR(AtNam)[1]=='D') && (FTN_S
From: Cohen, Aina E.
Sent: Fri 8/29/2008 1:04 PM
To: Smith, Clyde
Subject: FW: Pittsburgh Diffraction Conference - 2008
Dear Colleague:
On behalf of the program committee, you and your colleagues are cordially
invited to join us for the 66th Annual Pittsburgh Diffraction Conference to be
held
On Sep 4, 2008, at 9:23 AM, Jayashankar wrote:
Dear Computational crystallographers and developers,
I still struggle with my mac book pro, to install crystallographic
softwares,
This is why I bought the mac book amateur.
The fink list has cctbx, I want to know whether this cums in
unstab
Dear BBers
This is a first announcement for the BCA Biological
Structures Group Annual 1-day Winter Meeting, to
be held in Newcastle on Tuesday 16th December
2008.
We will have an exciting list of local, regional, national
(and for the Scottish Nationalists out there, international)
speakers on
Dear Computational crystallographers and developers,
I still struggle with my mac book pro, to install crystallographic
softwares,
The fink list has cctbx, I want to know whether this cums in unstable or
stable branch of fink distribution.
And i have hard time in updating my fink with fink selfup
Dear all,
After the rather unexpected positive responses on CCD over the last
few days, according to our web log and the emails we got, please note
that we got motivated to:
1. Establish a Help button that explains what the program is and is
not for, gives some general instructions
2. E
I used PDBSET (ccp4-6.0.2; linux; script at end of email) to generate
symmetry-related chains (with chain renaming).
Certain atom names get mangled. Specifically, the NAP residue, which as
many of us are painfully aware is named unusually, comes out wrong:
Example input:
ATOM 12107 AOP1 NAP G100
As we have the 944 here too, can someone "publish" the XDS.INP template.
What are the real values for QX and QY?
Are it realy 0.045 resp. 0.08 in 2x2 binned mode?
NX=1042 NY=1042 QX=0.0900 QY=0.0900
Ken Johnson wrote:
Jan,
Wolfgang Kabsch fixed this problem for us as of July 14 at le
Jan,
Wolfgang Kabsch fixed this problem for us as of July 14 at least for the linux
version - just download and reinstall (XDS-linux_ifc_Intel+AMD.tar.gz).
Ken
Quoting Jan Abendroth <[EMAIL PROTECTED]>:
> Hi all,
> a bit off-topic, but maybe someone knows an answer.
> I am trying to run xds on
Hi,
the release notes at
http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/Release_Notes.html
state that the July 2008 version "now accepts images from the Rigaku
Saturn 944+ CCD detector."
Do you use this version? If not, please upgrade to it.
best,
Kay
Jan Abendroth schrieb:
Hi al
Hi Jan
this is probably the same feature in Saturn headers that's upset the
xdl_view display of very strong pixels in ipmosflm (though it doesn't
affect iMosflm, and doesn't actually affect processing).
RAXIS_COMPRESSION_RATIO was set to (I think) 32 in older Saturns, but
this value is no
Hi all,
a bit off-topic, but maybe someone knows an answer.
I am trying to run xds on data collected on our new sparkling Saturn
detector. Using the basic xds script that worked beautifully for
older Saturn94 detectors, xds now dies with the following error
message during the INIT phase:
!
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