From 904b0278af5280e77dcc964d65402be29c8bb9af Mon Sep 17 00:00:00 2001
From: Stefan Bienert <stefan.bienert@unibas.ch>
Date: Wed, 6 Dec 2023 10:59:37 +0100
Subject: [PATCH] Remove old fragments
---
projects/novelfams/translate2modelcif.py | 16 +++++-----------
1 file changed, 5 insertions(+), 11 deletions(-)
diff --git a/projects/novelfams/translate2modelcif.py b/projects/novelfams/translate2modelcif.py
index 4584987..add84bb 100644
--- a/projects/novelfams/translate2modelcif.py
+++ b/projects/novelfams/translate2modelcif.py
@@ -139,13 +139,6 @@ class _LocalPairwisePAE(
software = None
-class _NmpfamsdbTrgRef(modelcif.reference.TargetReference):
- """NMPFamsDB as target reference."""
-
- name = "Other"
- other_details = "NMPFamsDB"
-
-
class _LPeptideAlphabetWithX(ihm.LPeptideAlphabet):
"""Have the default amino acid alphabet plus 'X' for unknown residues."""
@@ -242,7 +235,7 @@ def _get_pdb_files(model_dir):
def _get_title(fam_name):
"""Get a title for this modelling experiment."""
- return f"Model for NMPFamsDB Family {fam_name}"
+ return f"Model for {fam_name}"
def _get_model_details(fam_name):
@@ -713,9 +706,10 @@ def _translate2modelcif(f_name, af2_lst, opts):
else:
cifext = "cif"
mdl_path = os.path.join(opts.out_dir, f"{f_name}.{cifext}")
- if os.path.exists(mdl_path):
- print(f" {f_name} already done")
- return
+ # ToDo: re-enable for final version
+ #if os.path.exists(mdl_path):
+ # print(f" {f_name} already done")
+ # return
# get model details
mdl_details = _get_model_details(
--
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