Hi
I did first prediction of polymorphs of drug using polymorph predictor and got various crystal trajectories with their Elatt. On other hand I had grown crystals in lab and got its pxrd, then performed from powder solve over it and got structure solution. Then I compared this solution with predicted results under polymorph predictor. I got that structure as 9th lowest energy minimum in lattice energy landscape w.r.t. its lattice parameters (almost similar). Now the question is how should i calculate the lattice energy of proposed str. solution got thro' powder solve ( or experimental)? Elatt of predicted one is there in .std. How Elatt. of exptal. would be calculated? Plz. explain step by step.
Regards
janhvi
Regards
janhvi