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Commits on Aug 24, 2018

• fix bugs for first/last energy1 calculation, add more support for cyclic, fix best SCrotamer output

  garyzhang91

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  527c844

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Commits on Aug 21, 2018

• support cyclic peptide

  Show description for 7e03da6
  garyzhang91

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  7e03da6

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• add support for ramachandra energy

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  garyzhang91

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Commits on Aug 17, 2018

• a good version here

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  garyzhang91

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  9597197

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• forward backward scan for building side chain

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  garyzhang91

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Commits on Aug 16, 2018

• larger gamma atom radius

  garyzhang91

  committed
  cc81fe9

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• gamma atom centered to non-H atom center

  garyzhang91

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Commits on Aug 15, 2018

• make it easier to cross internal energy

  garyzhang91

  committed
  e24218e

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• fix rmsd calc

  garyzhang91

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Commits on Aug 13, 2018

• fix gamma atom for Serine and Proline

  garyzhang91

  committed
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Commits on Aug 12, 2018

• fix totenergy, save gamma atom position after scoresidechain with AutoDock grid

  garyzhang91

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  36b217d

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Commits on Aug 11, 2018

• add H to canonicalAA; set Gamma atom to geom center of the best rotamer

  garyzhang91

  committed
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Commits on Aug 10, 2018

• fix energy getters

  garyzhang91

  committed
  6c3d352

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Commits on Aug 7, 2018

• first check in

  garyzhang91

  committed
  e2ce89d

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• just check in

  garyzhang91

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Commits on Jun 28, 2018

• small transmove, option transmutate

  garyzhang91

  committed
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Commits on Jun 26, 2018

• handle empty transPts

  garyzhang91

  committed
  09d64c8

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Commits on Jun 23, 2018

• fix

  garyzhang91

  committed
  1c5064a

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Commits on Jun 22, 2018

• fix bug

  garyzhang91

  committed
  fa4e2fa

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• translational pts check in: tranmutate and sequence input to translational pts

  garyzhang91

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Commits on Jun 21, 2018

• fix swap good

  garyzhang91

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Commits on Jun 18, 2018

• seperate MC criterion for external_E

  garyzhang91

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Commits on Jun 16, 2018

• add fake H-H non bond potential and fix transmove

  garyzhang91

  committed
  5faf469

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Commits on Jun 13, 2018

• fix partial charges on sideChain

  garyzhang91

  committed
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Commits on Jun 12, 2018

• add makefile and readme_AD

  garyzhang91

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  3724679

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• fix a few bugs

  garyzhang91

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Commits on Jun 8, 2018

• ahh

  garyzhang91

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  e8479a7

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• printout best energy

  garyzhang91

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  9c779cd

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Commits on Jun 7, 2018

• merge with Csilla version

  garyzhang91

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Commits on Jun 5, 2018

• optimzing grid map

  garyzhang91

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• optimze grid map I/O

  garyzhang91

  committed
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Commits on May 31, 2018

• MC metropolis with target energy

  garyzhang91

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Commits on May 30, 2018

• one H-bond per residue backbone, scale 2+ by 1/4

  garyzhang91

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  9a1461a

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Commits on May 29, 2018

• minor fix

  garyzhang91

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  753ed74

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Commits on May 25, 2018

• easier input for all params in optimizing

  garyzhang91

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