# HG changeset patch # User chemteam # Date 1570466685 14400 # Node ID c9ae0c833ded2d83d274b7aab8ebf3ff4d0d4e56 # Parent 18440ff54f639f850eb36f4ed7b9551d9572a031 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/bio3d commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf" diff -r 18440ff54f63 -r c9ae0c833ded dccm.xml --- a/dccm.xml Wed Apr 03 15:44:43 2019 -0400 +++ b/dccm.xml Mon Oct 07 12:44:45 2019 -0400 @@ -1,10 +1,10 @@ - Dynamical Cross-Correlation Maps using Bio3D (DCCM) + - Dynamical Cross-Correlation Maps using Bio3D (DCCM) macros.xml - r-lattice + r-lattice - - + + - - - - + + + + @@ -78,13 +78,13 @@ - + - + - + @@ -105,7 +105,7 @@ **What it does** The extent to which the atomic fluctuations/displacements of a system are correlated with one another can be assessed by examining the magnitude of all pairwise cross-correlation coefficients. -The DCCM Analysis tool can plot the atom-wise cross-correlations using the Bio3D package. The negative values (negative correlation) indicate the atoms moves in opposite directions and the positive values (positive correlation) indicate the atoms moves in same directions. +The DCCM Analysis tool can plot the atom-wise cross-correlations using the Bio3D package. Negative values (negative correlation) indicate the atoms move in opposite directions, while positive values (positive correlation) indicate the atoms move in the same direction. _____ @@ -115,7 +115,7 @@ **Input** - Input file in PDB format - - Input file in dcd format + - Input file in DCD format _____ @@ -124,7 +124,7 @@ **Output** - - Image (as PNG) of the dccm plot + - Image (as PNG) of the DCCM plot - Tab-separated file of raw data ]]> diff -r 18440ff54f63 -r c9ae0c833ded macros.xml --- a/macros.xml Wed Apr 03 15:44:43 2019 -0400 +++ b/macros.xml Mon Oct 07 12:44:45 2019 -0400 @@ -1,14 +1,14 @@ - 2.3 + 2.3.4 - r-bio3d + r-bio3d - - + +