From 95043d139f0136a10f2806b3025e99e27b03bf7d Mon Sep 17 00:00:00 2001 From: Ben Webb Date: Tue, 10 Sep 2024 15:21:20 -0700 Subject: [PATCH] Note that UniProt accession is used if present --- pyext/src/topology/__init__.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/pyext/src/topology/__init__.py b/pyext/src/topology/__init__.py index ce3a1fe5..9b591bd1 100644 --- a/pyext/src/topology/__init__.py +++ b/pyext/src/topology/__init__.py @@ -1372,7 +1372,9 @@ class TopologyReader: fields split by pipe (|) characters. If so, the FASTA sequence name is the first field and the second field (if present) is the UniProt accession. For example, ">cop9|Q13098" yields a FASTA sequence name - of "cop9" and UniProt accession of "Q13098". + of "cop9" and UniProt accession of "Q13098". If such an accession is + present, it is added to the generated structure (and ultimately + recorded in any output RMF file). - `pdb_fn`: Name of PDB or mmCIF file with coordinates (if available). If left empty, will set up as BEADS (you can also specify "BEADS") Can also write "IDEAL_HELIX".