I added zinc manually in the text version of the pdb file: have a look at other
crystal structures that contain zinc and copper, and see how they specify the
coordinates in the text file. Do the same in your one and hopefully it will
work!!
Good luck
Martina
Date: Thu, 23 Oct 2014 13:36:33 -0400
From: [email protected]
Subject: Re: [ccp4bb] Adding zink and coper by COOT
To: [email protected]
There is a bug in version 0.7.2 Coot that causes metal ions added
via the "place atom at pointer" to be a water. However, if you add
the metal ions through the "Get Monomer" dialog I think it will work
OK.
_______________________________________
Roger S. Rowlett
Gordon & Dorothy Kline Professor
Department of Chemistry
Colgate University
13 Oak Drive
Hamilton, NY 13346
tel: (315)-228-7245
ofc: (315)-228-7395
fax: (315)-228-7935
email: [email protected]
On 10/23/2014 1:32 PM, amro selem
wrote:
Dear ccp4bb
Community ,
i hope this
email finds you well, i am trying to do add Zink and Copper to
my Superoxid dismuase Enzyme by Coot , i encountered two
problems.
1- after
adding Zink and copper by place atom at pointer <<
other <<< writing ZN OR CU then running Refmac5 ,
both atom is turned to water
2- i traied
to added atom and merge the atoms with coordinate file out
side the coot. the atoms are added but i see red patches
arround them. i also added calcium instead then i replaced
them bz editing the PDB file.
3- the
Rfactor 16 and R free is 22.1
so my
question
how can i
add zink and copper in right way. second what is the red
patches mean?
thank you in
advance
Amr
