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Molecular dynamics by NMR data analysis

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r23206 | bugman | 2014-05-16 16:32:03 +0200 (Fri, 16 May 2014) | 5 lines

Added the 'centre_type' argument to the structure.superimpose user function.

This allows the default 'centroid' superimposition to be replaced by a centre of mass (CoM)
superimposition instead. As the CoM and centroid position do not match, the translation vector and
Euler rotation angles will be different.
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Authored by: bugman 2014-05-16

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changed	/branches/frame_order_cleanup/lib/structure/superimpose.py
changed	/branches/frame_order_cleanup/pipe_control/structure/main.py
changed	/branches/frame_order_cleanup/user_functions/structure.py

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Molecular dynamics by NMR data analysis

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