-
Notifications
You must be signed in to change notification settings - Fork 0
Home
With this project it is possibile to evaluate the optimal structural superimposition[1][2] between two pdb files through the scores given by RMSD, MaxSub[3], TM[1], GDT_TS[4], and obtain the pdb files with the optimal superimposition.
This project uses an external library "Eigen" (version 3.1.0), under licence LGPL3+. The library is already included in the project and does not have to be installed separately. The (stable) version used is from 24/06/2012, as from version 3.1.1 of 22/07/2012 the library is under MPL licence.
The version 3.1.0 is available here, last updated with bug fixes and built in January 2014.
The last stable version (released under the MPL licence) is available here.
[1] Scoring function for automated assessment of protein structure template quality.
Zhang Y, Skolnick J.
Proteins. 2004 Dec 1;57(4):702-10.
[2] Kabsch algorithm
https://en.wikipedia.org/wiki/Kabsch_algorithm
[3] MaxSub: an automated measure for the assessment of protein structure prediction quality.
Siew N, Elofsson A, Rychlewski L, Fischer D.
Bioinformatics. 2000 Sep;16(9):776-85.
[4] http://predictioncenter.org/casp/casp7/public/doc/LCS_GDT.README
Manuale ClusCo (file pdf)