News

03/11/09 The latest version released is 0.7.12. You can download it from here. In this page click the left mouse on the link: Download in other formats: Zip Archive.

Welcome to CLASTERIT

  • Suite of programs that are intended for the monitoring and classification of structures obtained by different conformational studies like molecular dynamics. CLASTERIT consists of three applications CLASICO, CLUSTERIT, CLABOND and NMRDIST.
  • CLASICO and CLUSTERIT are described in:

F.Corcho, J. Canto, J.J.Perez. (2004). Comparative analysis of the conformational profile of substance P using simulated annealing and molecular dynamics. JOURNAL OF COMPUTATIONAL CHEMISTRY , 25 (16) : 1937-1952. ISSN: 0192-8651.

CLASICO

Using CLASICO the peptide or protein conformations obtained by molecular dynamics trajectories or any other methodology are classified in patterns based on the conformational motifs present.

CLUSTERIT

Using CLUSTERIT the patterns of structures are grouped in clusters based in the Information Theory.

NMRDIST

Using NMRDIST the average and standard deviation of distances obtained by ptraj (AMBER) can be compared to the distances intervals derived from NOE signals obtained in NMR experiments and molecular dynamics trajectories.

Further information

For more information look at the manual.

Contact

francesc.corcho_@…