From a9ce3c5eab40bcdd69c23506169542c1b8e1758d Mon Sep 17 00:00:00 2001 From: Stefan Doerr Date: Tue, 4 Jun 2024 16:32:47 +0300 Subject: [PATCH] tng format no longer supported by mdtraj --- moleculekit/writers.py | 11 +---------- 1 file changed, 1 insertion(+), 10 deletions(-) diff --git a/moleculekit/writers.py b/moleculekit/writers.py index 4bfe3d8..5bc2165 100644 --- a/moleculekit/writers.py +++ b/moleculekit/writers.py @@ -903,15 +903,7 @@ def INPCRDwrite(mol, filename): # Taken from trajectory.py Trajectory()._savers() method of MDtraj -_MDTRAJ_SAVERS = ( - "h5", - "ncrst", - "mdcrd", - "lammpstrj", - "gro", - "rst7", - "tng", -) +_MDTRAJ_SAVERS = ("h5", "ncrst", "mdcrd", "lammpstrj", "gro", "rst7") def MDTRAJwrite(mol, filename): @@ -1397,7 +1389,6 @@ def test_writers(self): "nc", "netcdf", "ncdf", - "tng", "xyz.gz", "xyz", )