On Thursday 07 June 2007 15:39, U Sam wrote:
> /usr/bin/awk
Coot uses awk to parse the fcf file, and it assumes the binary is
at /usr/bin/awk. Unfortunately on CentOS, awk is at /usr/bin/awk
If you have root access to this computer, you can set a link from /bin/awk
to /usr/bin/awk, even though t
Hi would appreciate suggestion/comments.
I am having a problem of opening .fcf file (created by shelx) in a new version
of COOT (0.2, January 2007) installed in newer version of Linux operating
system (CentOS 4.4), and can not see the map.
Same file .fcf I could open and see map in the older ver
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You need to put on the element column I-1 instead of I. For example
-
ATOM 2838 O HOH W 102 6.018 39.720 31.127 1.00
21.43 O
ATOM 2839 I IOD B 1 19.956 22.770 18.597 1.00
30.00 I -1
regards
Garib
On 6 Jun 2007, at 17:47, Judith Murray-R
Dear refmac experts, following on from the iodide ion question,
If I ask coot to get IOD, it lines up the I with C of CA in pdb file.
Good. But to tell refmac that it is an iodide ion (not a metal) and get
the correct scattering factor, presumably the atom type should be
changed to I- ?? or have I
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If
Residue name of iodine should IOD. Otherwsie there is a clash of
names with some other residue names (ionisine)
Garib
On 6 Jun 2007, at 16:56, [EMAIL PROTECTED]
wrote:
Dear All,
I am having trouble with refmac dictionaries when refining a
structure that contains an iodine ion.
the PDB
Two things I think
1) I is a metal so you need to move the atom name 1 space to the left -
more like this:
ATOM 2838 O HOH W 102 6.018 39.720 31.127 1.00
21.43 O
ATOM 2839 I I B 1 19.956 22.770 18.597 1.00
30.00 I
And the monomer library cal
> Dear All,
>
> I am having trouble with refmac dictionaries when refining a
> structure that contains an iodine ion.
> the PDB entry should be correct and according to the convention
> (water added for comparison):
> -
> ATOM 2838 O HOH W 102 6.018 39
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Kendall Nettles wrote:
I have a question about how to show certain h-bonds with CCP4MG. I’d
like to show a specific bond between an Arg and Glu, but not other
H-bonds made by the Arg. How can I do this?
Thanks!
Kendall
Dear Kendall,
In the first and third columns in the display table you
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