MMTSB
Tool Set Documentation

Difference between revisions of "Main Page"

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==Structure preparation==
+
== Structure preparation ==
  
 
convpdb.pl
 
convpdb.pl
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mutateNA.pl
 
mutateNA.pl
  
<H3>Structure analysis</H3>
+
== Structure analysis ==
  
 
centerOfMass.pl
 
centerOfMass.pl
Line 15: Line 15:
 
lsqfit.pl
 
lsqfit.pl
 
mindist.pl
 
mindist.pl
 +
qscore.pl
 +
rgyr.pl
 +
rms.pl
 +
vicinity.pl
  
<H3>All-Atom Modeling</H3>
+
== All-Atom Modeling ==
  
 
enerAmber.pl
 
enerAmber.pl
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pdb2traj.pl
 
pdb2traj.pl
 
processDCD.pl
 
processDCD.pl
 +
scalarCHARMM.pl
 +
 +
== SICHO Lattice Modeling ==
 +
 +
genchain.pl
 +
geninput.pl
 +
checkchain.pl
 +
genrestr.pl
 +
genseq.pl
 +
hlamc.pl
 +
latticeener.pl
 +
latticesim.pl
 +
rebuild.pl
 +
xtracttra.pl
 +
 +
== Replica Exchange Sampling ==
 +
 +
aarex.pl
 +
aarexAmaber.pl
 +
latrex.pl
 +
gorex.pl
 +
hlamcrex.pl
 +
readArchive.pl
 +
rexanalysis.pl
 +
rexinfo.pl
 +
rexserver.pl
 +
writeArchive.pl
 +
  
<H3>Structure Prediction</H3>
 
  
buildModel.pl
 
  
<H3>Ensemble Computing</H3>
+
== Ensemble Computing ==
 
bestcluster.pl
 
bestcluster.pl
 
calcprop.pl
 
calcprop.pl
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ensrun.pl
 
ensrun.pl
 
getprop.pl
 
getprop.pl
 +
showcluster.pl
 +
jobserver.pl
 +
setprop.pl
  
<H3>Replica Exchange Sampling</H3>
 
  
aarex.pl
+
== Structure Prediction ==
aarexAmaber.pl
 
latrex.pl
 
gorex.pl
 
hlamcrex.pl
 
  
<H3>SICHO Lattice Modeling</H3>
+
buildModel.pl
 
 
genchain.pl
 
geninput.pl
 
checkchain.pl
 
genrestr.pl
 
genseq.pl
 
hlamc.pl
 
latticeener.pl
 
latticesim.pl
 
 
 
 
 
jobserver.pl
 
 
psiblast.pl
 
psiblast.pl
 
psipred.pl
 
psipred.pl
qscore.pl
 
readArchive.pl
 
rebuild.pl
 
rexanalysis.pl
 
rexinfo.pl
 
rexserver.pl
 
rgyr.pl
 
rms.pl
 
scalarCHARMM.pl
 
setprop.pl
 
showcluster.pl
 
vicinity.pl
 
writeArchive.pl
 
xtracttra.pl
 

Revision as of 02:00, 11 August 2006

Structure preparation

convpdb.pl complete.pl mutate.pl mutateNA.pl

Structure analysis

centerOfMass.pl cluster.pl contact.pl countIntCont.pl dihed.pl lsqfit.pl mindist.pl qscore.pl rgyr.pl rms.pl vicinity.pl

All-Atom Modeling

enerAmber.pl enerCHARMM.pl analyzeCHARMM.pl equiCHARMM.pl genPSF.pl mdAmber.pl mdCHARMM.pl minAmber.pl minCHARMM.pl nmaCHARMM.pl pbCHARMM.pl pdb2traj.pl processDCD.pl scalarCHARMM.pl

SICHO Lattice Modeling

genchain.pl geninput.pl checkchain.pl genrestr.pl genseq.pl hlamc.pl latticeener.pl latticesim.pl rebuild.pl xtracttra.pl

Replica Exchange Sampling

aarex.pl aarexAmaber.pl latrex.pl gorex.pl hlamcrex.pl readArchive.pl rexanalysis.pl rexinfo.pl rexserver.pl writeArchive.pl



Ensemble Computing

bestcluster.pl calcprop.pl checkin.pl enscluster.pl enscut.pl enseval.pl ensfiles.pl enslatsim.pl ensmin.pl ensrun.pl getprop.pl showcluster.pl jobserver.pl setprop.pl


Structure Prediction

buildModel.pl psiblast.pl psipred.pl