Hi all,
I used the Polymorphic Predictor and got around 7000 of possible crystal structure.
I was wondering if it is possible to generate the X-ray patterns for ALL the structures found (they are in the study table) automatically using Reflex.
Also I would like to extract each structure to a separate file.
Regards,
Hatuey
I used the Polymorphic Predictor and got around 7000 of possible crystal structure.
I was wondering if it is possible to generate the X-ray patterns for ALL the structures found (they are in the study table) automatically using Reflex.
Also I would like to extract each structure to a separate file.
Regards,
Hatuey
