On 31/01/2017 20:09, Dale Tronrud wrote:
On 1/31/2017 11:51 AM, Paul Emsley wrote:
On 31/01/17 17:54, Edwin Pozharski wrote:
Whatever the rationale was, there is a structure in the PDB that has
alternate conformer of a residue listed with different residue type -
A is arginine and B is
Thanks - sorry I should have searched the archives first. As a suggestion,
could you alter the warning text to include the fix decription (i.e.
"include this in your .coot.py)? This way users would know what to do
right away.
On Tue, Jan 31, 2017 at 2:51 PM, Paul Emsley
On 1/31/2017 11:51 AM, Paul Emsley wrote:
> On 31/01/17 17:54, Edwin Pozharski wrote:
>> Whatever the rationale was, there is a structure in the PDB that has
>> alternate conformer of a residue listed with different residue type -
>> A is arginine and B is glutamine. Coot fails to load the model
This is an occurrence of microheterogeneity and it is not all that
uncommon. See Crambin as a classic prototype. Coot should be able to
handle this.
The work-around you suggest creates a very different model. Residue
93A lies between 93 and 94 so you are actually inserting an entire
Whatever the rationale was, there is a structure in the PDB that has
alternate conformer of a residue listed with different residue type - A is
arginine and B is glutamine. Coot fails to load the model complaining in
the command window
WARNING:: Error reading small-molecule cif
