From 96ad254e65ee8f7ce1408bce91a7311087e904ca Mon Sep 17 00:00:00 2001 From: Brennan Abanades Date: Mon, 2 May 2022 16:34:25 +0100 Subject: [PATCH] Fix tempfile creation for Windows users --- ABlooper/openmm_refine.py | 3 +-- setup.py | 2 +- 2 files changed, 2 insertions(+), 3 deletions(-) diff --git a/ABlooper/openmm_refine.py b/ABlooper/openmm_refine.py index 24a4cf0..3b820f4 100644 --- a/ABlooper/openmm_refine.py +++ b/ABlooper/openmm_refine.py @@ -15,10 +15,9 @@ def relax_CDR_loops(pdb_txt, CDR_definitions, spring_constant=10): :param pdb_txt: ABlooper prediction stored as text in PDB format. :param CDR_definitions: How we are defining the CDR loops. :param spring_constant: Strength of the spring keeping backbone atoms in place. - :param attempts: Number of attempts to run minimization before giving up. """ - with tempfile.NamedTemporaryFile("wt") as tmp: + with tempfile.NamedTemporaryFile("wt", delete=False) as tmp: tmp.writelines(pdb_txt) tmp.flush() fixer = pdbfixer.PDBFixer(tmp.name) diff --git a/setup.py b/setup.py index 39a0a73..31babd0 100644 --- a/setup.py +++ b/setup.py @@ -4,7 +4,7 @@ long_description = fh.read() setup( name='ABlooper', - version='1.0.10', + version='1.0.11', description='Set of functions to predict CDR structure', license='BSD 3-clause license', maintainer='Brennan Abanades',