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Dear all,
Could somebody please point me to a program that calculates rmsd
deviations and accounts for possible swapping of side chain
orientations, namely 180° rotations for Tyr, Phe, Glu, Asp etc... My
feeling is that lsqkab does not consider these alternative orientations
/ alternative atom naming. A plus would be if the program would also
allow for the calculation of rmsd values without the calculation of the
best superposition that is without reorienting the two molecules.
Any help is much appreciated.
Many thanks
Yves Muller
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Prof. Yves Muller Phone: +49-(0)-9131-8523082, 8523081
Lehrstuhl fuer Biotechnik FAX: +49-(0)-9131-8523080
www.biologie.uni-erlangen.de/biotechnik
Institut fuer Biologie
Friederich-Alexander-Universität, Erlangen-Nuernberg
Im IZMP, Henkestrasse 91, D-91052 Erlangen
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