Re: [ccp4bb] AW: [ccp4bb] Rmergicide Through Programming

2017-07-11 Thread James Foadi
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

Re: [ccp4bb] RMSD between unaligned structures

2017-07-03 Thread James Foadi
(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

[ccp4bb] RMSD between unaligned structures

2017-07-03 Thread James Foadi
). 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

Re: [ccp4bb] wavelet application in CCP4

2016-11-28 Thread James Foadi
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

Re: [ccp4bb] Blend not outputting dendogram

2016-11-23 Thread James Foadi
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

Re: [ccp4bb] FW: [ccp4bb] Fwd: [ccp4bb] just out of totally idle curiosity ...

2016-11-09 Thread James Foadi
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

Re: [ccp4bb] invalid dataset in BLEND

2015-03-19 Thread James Foadi
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

[ccp4bb] new Nature article on the R platform

2014-12-30 Thread James Foadi
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

Re: [ccp4bb] merging anisotropic datasets

2014-11-13 Thread James Foadi
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

Re: [ccp4bb] Room temperature data collection

2014-02-06 Thread James Foadi
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

Re: [ccp4bb] Today ...

2012-12-20 Thread James Foadi
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

Re: [ccp4bb] Rpim and how its related to anomalous signal

2012-11-04 Thread James Foadi
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

Re: [ccp4bb] adding gaussian noise to an mtz data column

2011-02-04 Thread James Foadi
# 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

[ccp4bb] rebatch abort

2011-01-17 Thread James Foadi
: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

[ccp4bb] issues with idiffdisp

2009-05-05 Thread James Foadi
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

Re: [ccp4bb] issues with idiffdisp

2009-05-05 Thread James Foadi
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

Re: [ccp4bb] failed compilation for Pointless

2009-05-05 Thread James Foadi
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

[ccp4bb] CAD on multi-record file

2009-04-09 Thread James Foadi
-- 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

Re: [ccp4bb] CAD on multi-record file

2009-04-09 Thread James Foadi
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

[ccp4bb] failed compilation for Pointless

2009-03-31 Thread James Foadi
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

Re: [ccp4bb] failed compilation for Pointless

2009-03-31 Thread James Foadi
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

[ccp4bb] imosflm STARTDIR

2009-03-18 Thread James Foadi
[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

Re: [ccp4bb] SCALA failed message

2009-02-25 Thread James Foadi
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

[ccp4bb] SCALA failed message

2009-02-24 Thread James Foadi
** - 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