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: rrowl...@colgate.edu
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
