I am very sad to hear this! Alexey was one of my favourites when I was in York,
and I have had many lovely conversations with him. You are right, Eugene, his
contributions have helped and will keep helping many crystallographers and
methods developers.
May his soul rest in peace!
James
Sent
Hello Frederic. Interesting. Have you got some reference on this to share?
James
Dr James Foadi PhD Diamond Light Source Ltd. Diamond House Harwell Science and
Innovation Campus Didcot Oxfordshire OX11 0DE United Kingdom office email:
james.fo...@diamond.ac.uk alternative email: j.fo
(with the symmetry and unit cell origin
constrain) by CSYMMATCH. Does it make sense to you?
James
Dr James Foadi PhD Diamond Light Source Ltd. Diamond House Harwell Science and
Innovation Campus Didcot Oxfordshire OX11 0DE United Kingdom office email:
james.fo...@diamond.ac.uk alternative email: j.fo
). But I don't want the program that
compute RMSD to align the two structures. Can you suggest what I should use?
And, perhaps, what keywords I should adopt?
Many thanks, in advance.
James Dr James Foadi PhD Diamond Light Source Ltd. Diamond House Harwell
Science and Innovation Campus Didcot
blockquote, div.yahoo_quoted { margin-left: 0 !important; border-left:1px
#715FFA solid !important; padding-left:1ex !important; background-color:white
!important; } Peter Main is retired. Julie works on different stuff now. I'm
not aware of any application aside what Julie implemented at the
ing merged data from combination of
datasets, before scaling (carried out by AIMLESS).
Regards,
James
Dr James Foadi PhD Diamond Light Source Ltd. Diamond House Harwell Science and
Innovation Campus Didcot Oxfordshire OX11 0DE United Kingdom office email:
james.fo...@diamond.ac.uk alternative e
blockquote, div.yahoo_quoted { margin-left: 0 !important; border-left:1px
#715FFA solid !important; padding-left:1ex !important; background-color:white
!important; } I totally agree with you, Edward!
James
Sent from Yahoo Mail for iPhone
On Wednesday, November 9, 2016, 5:02 pm, Edward
them.
There could be other reasons why files are rejected, but I need to look at one
of your datasets to get moredetails.
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
Harwell Science and Innovation Campus
Didcot
Oxfordshire
OX11 0DE
United Kingdom
that gives scientists control of their own data
analysis. |
| |
| View on www.nature.com | Preview by Yahoo |
| |
| |
Happy New Year!
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
Harwell Science and Innovation Campus
Didcot
Oxfordshire
OX11 0DE
United
in
learning from peoplewho have tried it.
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
Harwell Science and Innovation Campus
Didcot
Oxfordshire
OX11 0DE
United Kingdom
office email: james.fo...@diamond.ac.uk
alternative email: j.fo...@imperial.ac.uk
possibilities offered by modern synchrotrons.
All the best,
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
Harwell Science and Innovation Campus
Didcot
Oxfordshire
OX11 0DE
United Kingdom
office email: james.fo...@diamond.ac.uk
alternative email: j.fo
Thank you, Phil!
The same to you!
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
Harwell Science and Innovation Campus
Didcot
Oxfordshire
OX11 0DE
United Kingdom
office email: james.fo...@diamond.ac.uk
alternative email: j.fo...@imperial.ac.uk
with the addition of the
second dataset, quite certainly some form of non-isomorphism.
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
Harwell Science and Innovation Campus
Didcot
Oxfordshire
OX11 0DE
United Kingdom
office email: james.fo...@diamond.ac.uk
# Replace new column
writeMTZ(mtz,new_test.mtz)
# Write modified file with a different name
If you are interested I can provide you with my R code for doing this.
J
Dr James Foadi PhD
Membrane Protein
:00 0 [stack]
7fffd6df4000-7fffd6df7000 rw-p 00:00 0
7fffd6dff000-7fffd6e0 r-xp 00:00 0 [vdso]
ff60-ff601000 r-xp 00:00 0
[vsyscall]
Aborted
J
Dr James Foadi PhD
Membrane
Tcl, so I don't know how to solve this issue. Any idea on
this from somebody else would be very much appreciated.
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
Harwell Science and Innovation Campus
Didcot
Oxfordshire
OX11 0DE
United Kingdom
office
It doesn't work outside the GIU either.
I should tell that I have my CCP4 install compiled from source, it is not a
binary installation.
Also that I use ActiveTcl 8.4 and my Linux platform is Ubuntu 8 (64 bit). I
wonder whether
this is a Tcl version issue...
J
Dr James Foadi PhD
Membrane
that some
of it involved fftw, I suspect the real problem in my failed previous attempt.
I can now run the full Pointless without problems.
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
Harwell Science and Innovation Campus
Didcot
Oxfordshire
OX11 0DE
--
So it would appear that CAD is no good for this sort of files. What should I
use, then?
I have tried looking into mtzutils, but I don't see how to do it.
Anyone for help?
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond
numbers
BATCH 1 TO 100 PNAME NONISO XNAME Insulin_01 DNAME Dataset_01
END
Best wishes,
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
Harwell Science and Innovation Campus
Didcot
Oxfordshire
OX11 0DE
United Kingdom
office email: james.fo...@diamond.ac.uk
declared all CCP4 environment variables, and could check that
the file is actually where it should be.
Anyone could help me with this?
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
Harwell Science and Innovation Campus
Didcot
Oxfordshire
OX11 0DE
United
for egrep... /bin/grep -E
checking for ANSI C header files... yes
checking for a BSD-compatible install... /usr/bin/install -c
checking for ccp4_errno in CCP4... no
configure: error: Failed to find ccp4 libs
.
.
.
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
[pwd]
Perhaps somebody else has written about this, but if this is the case, I have
missed the thread.
Can somebody help me with this?
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
Harwell Science and Innovation Campus
Didcot
Oxfordshire
OX11 0DE
Thank you Graeme.
I have installed ccp4 6.1.1 and ran the same job on SCALA succesfully.
J
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
Harwell Science and Innovation Campus
Didcot
Oxfordshire
OX11 0DE
United Kingdom
office email: james.fo
**
-
Any idea on what's wrong? I have to say, I had run this before with similar
data (up to 4 runs), and had never this problem.
Thank you!
J
Dr James
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