The Coarse Grainer is a scriptable tool in Materials Studio to convert a molecular model to a bead model.
Although the tool works with single structures (xsd), with the latest trajectory API in Materials Studio 5.0, it is straightforward to coarsegrain trajectories (xtd) too:
sub CoarseGrainTrajectory{ my (\\\$xtd) = @_; my \\\$trj = \\\$xtd->Trajectory; my \\\$xtdCG = Documents->New(\\\$xtd->Name . " CG.xtd"); my \\\$trjCG = \\\$xtdCG->Trajectory; my \\\$cg = Tools->CoarseGrainer->CoarseGrain; my \\\$typingDoc = Documents->New("Bead Typing.std"); for (my \\\$frame = 1; \\\$frame <= \\\$trj->NumFrames; ++\\\$frame) { \\\$trj->CurrentFrame = \\\$frame; \\\$cg->UpdateTypingDocument(\\\$xtd, \\\$typingDoc) if(\\\$frame == 1); my \\\$frameCG = \\\$cg->Build(\\\$xtd, \\\$typingDoc); \\\$trjCG->AppendFramesFrom(\\\$frameCG->Structure); \\\$frameCG->Structure->Delete; } return \\\$xtdCG;}Attached is an example using this subroutine, coarse graining a dynamics trajectory of PDMS. The example uses bead type names A,B,C,... for ease of reference. The trajectory can be analyzed in Mesocite.
Hope you find it useful.
Reinier
