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move set_BBB_angles and set_BBBB_dihe to CG_movers #1

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tlfobe opened this issue May 22, 2019 · 1 comment
Open

move set_BBB_angles and set_BBBB_dihe to CG_movers #1

tlfobe opened this issue May 22, 2019 · 1 comment
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enhancement New feature or request

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tlfobe commented May 22, 2019 •
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To do :
Move methods for setting torsion angles and bond angles from CG_folding to CG_movers

Need these to be generalizable based on ID of monomer

set_bb_angles(pose, dict)

where dict is a dictionary with specific angles for specific residues...?
@tlfobe tlfobe self-assigned this May 22, 2019
@tlfobe tlfobe added the enhancement New feature or request label Jun 5, 2019
@tlfobe tlfobe mentioned this issue Oct 8, 2019
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tlfobe commented Mar 30, 2020

Update on this problem: We have a working setBackBoneBondLengths and randomizeBackBoneBondLengths objects in CG_movers.py, however there still is a need for a setBBBondAngles and set BBTorsionAngles objects. These should implement the newCGSmall and SmallAngle movers that were recently added:

  • set/randomizeBBBondAngles
  • set/randomizeBBTorsionAngles

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