Changes between Version 3 and Version 4 of Functionality

Timestamp:

Apr 6, 2015, 11:27:45 AM (11 years ago)

Author:

Tom Goddard

Comment:

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Functionality

@@ -14 +14 @@
  * Single sequences, interactive display, secondary structure, database annotations
  * Sequence alignments
- * Structure build/refine (addH, loop model, minimize, swapaa, build standard geom)
+ * Structure build/refine (addH, loop model, homology model, minimize, swapaa, build standard geom)
  * Optical microscopy 3d time series
  * Cross-links and EM, Jan Kosinski EMBL, IMP, Rosetta
@@ -20 +20 @@
  * Measurements, axes/planes/centroids/angles/distances/buried area/cavity volumes with graphical depictions.
  * Docking results analysis, !ViewDock
- * Small ligand binding analysis (pocket surfaces, areas, hydrogen bonds, metal coordination...)
+ * Small ligand binding analysis (pocket surfaces, areas, hydrogen bonds, metal coordination, electrostatics...)
  * Evaluating 3A EM maps and atomic models
  * Map fitting
  * Map segmentation, Segger
- * Molecular dynamics
+ * Molecular dynamics (md viewer, solvate, add ions, md simulation)
+ * Demo capability, use html, for teaching