Reply To: SequenceRelax on a loop

[pbradley]

hi again,

sorry for all the questions.

if I add the line:

scorefxn.set_weight(chainbreak,1.0)

it gets added to the scorefxn but unfortunately it evaluates to 0 so doesn’t prevent a chain break and there doesn’t seem to be any documentation on how to use it. e.g. :

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Scores Weight Raw Score Wghtd.Score

---

fa_atr 0.800 -1326.247 -1060.998
fa_rep 0.440 14937.280 6572.403
fa_sol 0.650 906.799 589.419
fa_intra_rep 0.004 731.007 2.924
pro_close 1.000 43.079 43.079
fa_pair 0.490 -52.043 -25.501
hbond_sr_bb 1.170 -48.035 -56.201
hbond_lr_bb 1.170 -84.287 -98.616
hbond_bb_sc 1.170 -25.401 -29.719
hbond_sc 1.100 -22.972 -25.269
dslf_ss_dst 1.000 -10.417 -10.417
dslf_cs_ang 1.000 -8.402 -8.402
dslf_ss_dih 1.000 -3.837 -3.837
dslf_ca_dih 1.000 -2.184 -2.184
fa_dun 0.560 438.271 245.432
p_aa_pp 0.640 -75.816 -48.522
ref 1.000 -38.230 -38.230
chainbreak 1.000 0.000 0.000

---

Total weighted score: 6045.362