Hi
Just refined a glycine and a leucine, and realized there was a problem
with the script. Here is version 0.2
Mark
On Wed, 22 Oct 2008, Jonathan Winger wrote:
Fantastic. Thank you!
jon
On Oct 22, 2008, at 11:27 AM, Mark Collins wrote:
sorry that should have been
sed -f
Hi JonHere is a sed script to make life easier.run on command prompt withsed pdb4coot.sed file.pdb > newcoot.pdb
pdb4coot.sed
Description: Binary data
MarkOn Oct 21, 2008, at 10:53 PM, Jonathan Winger wrote:Hi Mark,I compared the names of the H atoms for each of the residue types in my pdb file
sorry that should have been
sed -f pdb4coot.sed file.pdb newcoot.pdb
mark
On Oct 21, 2008, at 10:53 PM, Jonathan Winger wrote:
Hi Mark,
I compared the names of the H atoms for each of the residue types
in my pdb file with their cif files in the coot monomer library
(for example, see
Hi Jonathan
Did you find/get a fix for this? I just switched to pdb v3 file, from the
happy and well behaved v2 file. It seems that all H_3 position Hydrogens
are the problem (ie HB3, HG3 etc.) and as descirbed fly off when using
RSR.
Thanks Mark
(os 10.4 G4, coot 0.5)
On Sun, 5 Oct
In message [EMAIL PROTECTED] Paul Emsley
[EMAIL PROTECTED] writes:
Hi Mark,
The issue here is that the dictionary does not define those atoms for e.g. ARG
and GLN.
For ARG and GLN, the atoms bound to the CG are HG1 and HG2 - not Hx3.
i.e.
Coot doesn't know about bonds to those
