Dear all,
For anyone interested in giving fragment screening a try, Zenobia has been
offering a 352 compound fragment library designed to serve as a first-pass
screen by x-ray crystallography (and other methods such as SPR, NMR) since
March. The library was prepared and reviewed by experienced
Dear CCP4 community,
I have just upgraded to CCP4 6.1.2 and the accompanying Tcl/Tk v8.4.18
on Mac OSX. I am trying to setup ccp4i but I always get this error
message.
Application initialization failed: Can't find a usable init.tcl in the
following directories:
/Users/Shared/
Dear Linda,
NSMB asked me and Jim Wells to write an obit for Warren.
With your permission we would like to include a
quote of your CCP4 posting (or a reference to it -
depending what NSMB decides to do). Warren's
words summarize so much how we call remember him.
I hope you are doing well.
All
Francis,
I still like to use Gerard Kleywegt's programme IMP (of the RAVE
suite) to optimise NCS matrices before density modification in DM or
other programs. Initial correlation coefficients (prior to solvent
flattening) should be 20% or better. Below, the matrices are doubtful
and densi
Vin,
This effect is what you see when the goniometer's rotation axis is not
exactly perpendicular to the beam. HKL2000 is compensating for rotations
that are actually due to goniometer misalignment by changing the crystal
orientation angles. It does not cause any harm to your data, unless
thi
Hi all
I have a rotation + translation component for the 2-fold given to me
by GETAX using low resolution low quality experimental maps. I
understand that these are input into DM for NCS averaging. What are
signs of progress as well as how does one usually optimize the mask?
When doing a
Hi, sorry for the non-ccp4 related question.
I have one data set that yields peculiar results when I use HKL2000 (or
3000) to integrate it.
Background: I have crystals that index to the I222 sg. I have shot and
collected datasets, integrated, molreped and refined many hundreds of these
same cr
We've had good luck (sometimes) searching for nucleic acids
with multiple small pieces - say ask it to find several 5bp
chunks of DNA rather than one 20bp duplex. I think Bill
Scott will agree?
I have a hunch that searching for the protein 1st, at least
at "modest" resolutions, may confuse the
Hi,
Probably, you have not set up the environment correctly for the new user
account. Source the correct ccp4.setup file depending on your shell. You
can also put this into the configuration file specific for your shell
(e.g. for bash: ~/.bashrc or for C-shell ~/.cshrc)
for csh
source /home/chanda
Hi Lisa,
There are many things you can try and the phaser manual gives a lot of
useful information what to do in difficult cases. From my experience, it
is quite difficult to find solutions for MR with nucleic acids. I
recommend to search only for protein. As a side effect you can use this
approach
hi,
i have install CCP4 in /home/chandan/ccp4/ccp4-6.1.1. its open perfectly in
this directory by using ccp4i command.
but when i create a new user account in linux, then
ccp4i was not working in new user account.
please suggest me how i can
Hi,
All. I was running autosharp through the web-gui.But just at the
preparation step,error happened like that below:
1.3 Extracting additional information
(details)(explanation)(less than 1 second)
ERROR : (seeGETINFO/LIS
Hi all,
I got one data about 3.0 A, belong to C2 space group. There are two protein
molecules and one 18-nt dsRNA per ASU. The structure of last 100aa
(C-terminal) has been reported, and 400 aa at N-terminalhe has homology
structure with sequence identiy 30%. I try to solve it by MR with phaser.
I
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