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angle added in denovo
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nirajverma288 committed Jul 1, 2019
1 parent ea1d189 commit 5ef0521
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Showing 2 changed files with 4 additions and 4 deletions.
4 changes: 2 additions & 2 deletions denovo.py
Original file line number Diff line number Diff line change
Expand Up @@ -454,7 +454,7 @@ def get_reward(self):
#print (res, 'dist')


'''

#angle
if len(self.current_status) > 3:
res += abs(self.angle(self.current_status[-1], self.current_status[-2],
Expand All @@ -466,7 +466,7 @@ def get_reward(self):
if np.isnan(res):
print (self.current_status)
stop()
'''

'''
#dihedrals
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4 changes: 2 additions & 2 deletions inp
Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@ SYNC_TARGET_FRAMES 1000

REPLAY_START_SIZE 10000

EPSILON_DECAY_LAST_FRAME 10**6
EPSILON_DECAY_LAST_FRAME 10**7

MAX_ITER 10**9

Expand All @@ -37,4 +37,4 @@ BCOUNT -1

# how much residue coordinates be included from generated sequence in the state
# -1 denotes all
TRACK 5
TRACK -1

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