From 847df567bd95125d1bca5dff2fe75d4a4ad098ce Mon Sep 17 00:00:00 2001 From: hypnopump Date: Mon, 17 May 2021 00:32:31 +0200 Subject: [PATCH] adding new results --- mp_nerf/kb_proteins.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/mp_nerf/kb_proteins.py b/mp_nerf/kb_proteins.py index ce83070..5424f2e 100644 --- a/mp_nerf/kb_proteins.py +++ b/mp_nerf/kb_proteins.py @@ -721,7 +721,8 @@ def make_torsion_mask(aa, fill=False): """ Gives the dihedral of the bond originating each atom. """ mask = np.zeros(14) # backbone - # + if aa == "_": + return aa # sidechain for i, torsion in enumerate(SC_BUILD_INFO[aa]['torsion-vals']): if fill: