[COOT] ScalarValue display Electrostatic Surfaces

2010-07-15 Thread Emiliano Sanchez
When I display an electrostatic surface via extensions - representations, is 
there a default flag I can toggle to display colourbyScalarValues in the Coot 
viewing area, or is there some way that I can manually change the colouring 
scheme so I can include it in a ray png?

Thank you for your time,

Emil Sanchez
Washington State University


[COOT] Problem with Extension- Phosphorylate this Residue

2010-06-03 Thread Emiliano Sanchez
Hello all, this is my first post and I apologize if there is redundancy, but 
from previous searches of the archives on this board, I did not find an issue 
similar to mine.
I am attempting to phosphorylate a threonine residue, however, I get this 
error: 

monomer-molecule-from-3-let-code TPO )
/usr/local/src/Coot/bin/libcheck
/usr/local/src/Coot/bin/libcheck

ERROR: cant open (lib) list/mon_lib_list
exit status: 0
INFO:: libcheck status: 0
libcheck failed to write the output cif file.
(get-monomer TPO)

The full log is in the attached part.  I therefore tried to circumvent this by 
loading in a clean TPO.cif and TPO.pdb and manually deleting the threonine and 
renaming / renumbering / merging into the original PDB.  When I do a subsequent 
refinement, I want to edit the sidechain angles, the selection window for 
choosing which bond angles to modify, there are no applicable selections.  

I appreciate any feedback the community has to offer and thank you for your time

E. Sanchez


[COOT] My mistake, 2nd attempt Extension - Phosphorylate this residue

2010-06-03 Thread Emiliano Sanchez
Hello all, this is my first post and I apologize if there is redundancy, but 
from previous searches of the archives on this board, I did not find an issue 
similar to mine.
I am attempting to phosphorylate a threonine residue, however, I get this 
error: 

monomer-molecule-from-3-let-code TPO )
/usr/local/src/Coot/bin/libcheck
/usr/local/src/Coot/bin/libcheck

ERROR: cant open (lib) list/mon_lib_list
exit status: 0
INFO:: libcheck status: 0
libcheck failed to write the output cif file.
(get-monomer TPO)

The full log is in the attached part.  I therefore tried to circumvent this by 
loading in a clean TPO.cif and TPO.pdb and manually deleting the threonine and 
renaming / renumbering / merging into the original PDB.  When I do a subsequent 
refinement, I want to edit the sidechain angles, the selection window for 
choosing which bond angles to modify, there are no applicable selections.  

I appreciate any feedback the community has to offer and thank you for your time

E. Sanchez