Hi,

 

I would like to do the following task:

 

I have three complexes of three different ligands with the same enzyme  and I would like to rotate/translate  the electron density maps of two of these complexes in order to superpose them onto the first complex.  I need to do the superposition based on the coordinates of the ligands and not on the common enzyme residues since there are conformational changes that differ in the three complexes. I can nicely superpose the ligands using Pymol “Pair fitting” wizard but then my questions are:

 

1-Is it possible to output  to the console the superposition matrix after pair fitting ?

 

2- Is it possible to apply these transformation matrices to mesh objects (from electron density maps)?

 

Thanks,

 

Carlos

 

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Carlos Martinez Fleites

Structural Biology Laboratory

Department of Chemistry

The University of York

Heslington

York YO10 5YW

United Kingdom

 

Tel:        +44 1904 328278

Fax:      +44 1904 328266

E-mail: martinez@ysbl.york.ac.uk