RESIDUAL MAPS

[jholste]

Hi,

I really like the residual maps in shelXle, which are directly calculated from the *.fcf-file, when written in LIST 6 format.
This really improves modeling disorder!
The |settings|->|map control| really improves convenience to generate the maps.

Julian

[oleg]

Could you provide some pictures?

Cheers,

o

[Rudi]

Hi Oleg,

Here is a screenshot; it is reminiscent of COOT.

[oleg]

Thanks Rudi, I meant when it really helps...

Cheers,

o

[chuebsch]

Oleg, I think residual maps are always really helpful because its always better to see that the map is flat and featureless than just believing.



Attached an example of missplaced hydrogen atoms. Hydrogen atoms in red mesh are wrong. Green mesh bubbles indicate missing hydrogen positions.

Cheers Christian