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Commits on Jan 23, 2020

• Create .gitattributes

  vtlim

  authored
  8427934

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Commits on Dec 23, 2019

• py3 compatibility

  vtlim

  committed
  63e437d

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• increase font size and line thickness

  vtlim

  committed
  a1b58e6

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• tweak NewRibbons to NewCartoon

  vtlim

  committed
  57413ed

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• update scatter plot script

  vtlim

  committed
  d1599f9

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Commits on Mar 1, 2019

• remove redundant 05_qmDihedScan files

  vtlim

  committed
  59b91a2

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Commits on Nov 26, 2018

• move analyzeDCD to other repo

  vtlim

  committed
  e1390d7

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Commits on Nov 14, 2018

• fix file name instruction

  vtlim

  committed
  fd120ec

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• tcl script for rest2 prep

  vtlim

  committed
  a0a564f

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• reorganize

  vtlim

  committed
  fa5eb17

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Commits on Sep 5, 2018

• be able to extract selection in summary trajectory

  vtlim

  committed
  50e430b

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Commits on Aug 29, 2018

• gotta save before showing

  vtlim

  committed
  37ce015

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• formatting and save options

  vtlim

  committed
  6d8f068

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• add section to process input files on same plot (not displaced as in joy)

  vtlim

  committed
  ab85594

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• fix histogram plots by specifying uniform bin range for F and R

  vtlim

  committed
  172edac

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Commits on Aug 28, 2018

• simple tcl script for recoloring by element

  vtlim

  committed
  02038c3

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Commits on Aug 25, 2018

• some ligClose modifications

  vtlim

  committed
  ca4e0b4

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• custom output name for hbonds

  vtlim

  committed
  7c7aa4d

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• results depend on wrap selection; set to protein

  vtlim

  committed
  44f7e41

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• fix water count (noh) and add hbonds count

  vtlim

  committed
  f98e6a3

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Commits on Aug 24, 2018

• proc to count proximal waters

  vtlim

  committed
  3dfe278

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Commits on Aug 13, 2018

• minor fixes in slurm script for extending fep windows

  vtlim

  committed
  3bc474a

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• be able to process fepout convergence from beginning; minor restructuring

  vtlim

  committed
  8326504

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• process fepout files in isolated blocks

  vtlim

  committed
  0ff40cf

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Commits on Jul 20, 2018

• minor modifications in slurm extend script

  vtlim

  committed
  fedf5a1

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Commits on Jul 18, 2018

• add new proc for hbond network viewing

  vtlim

  committed
  5b2715e

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Commits on Jul 16, 2018

• make convergence script more general for extended fepout files

  vtlim

  committed
  12ac7e1

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• bash script to combine extended windows

  vtlim

  committed
  0652c58

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• update details on extended windows

  vtlim

  committed
  bb640ce

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• increase font size of degree labels

  vtlim

  committed
  2f41bd9

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• add proc for smoothing reps over trajectory

  vtlim

  committed
  d45f869

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• generalize a bit, add view for single 2GBI rep colored by mol

  vtlim

  committed
  fa731cc

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• from Mar 2017, view of lipids via carbonyl atoms

  vtlim

  committed
  32bb583

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Commits on Jul 6, 2018

• restructure to process multiple trajectories

  vtlim

  committed
  f784624

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• more generalizable ligHbonds script

  vtlim

  committed
  2fd03cc

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