Hello,
I am attempting to build a model from multiple templates, but I am getting very bad results. After doing some tests I have discovered that the problem lies most probably in the unwanted 3D orientation of the blocks which the model is built from.
To test this, I took a single PDB file and splitted it into three chunks aligned as:
aaaaaaaaa------------------------- ------aaaaaaaaaaa----------------- --------------aaaaaaaaaaaaaaaaaaaa aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa
In this test, I would like to reconstruct the original structure. Is it possible? I tried to set the variable a.initial_malign3d=1, but the modeller ends with the error "_modeller.ModellerError: fit2xyz_296E> Number of equivalent positions < 3: 0"
Any help would be greatly appreciated. Best regards, Petr Danecek