diff --git a/pygromos/files/coord/cnf.py b/pygromos/files/coord/cnf.py index a8382c31..7938ba11 100644 --- a/pygromos/files/coord/cnf.py +++ b/pygromos/files/coord/cnf.py @@ -1058,7 +1058,7 @@ def get_pdb(self, connectivity_top=None) -> str: output_lines = ["TITLE " + str(self.TITLE).replace("END", "")] if hasattr(self, "GENBOX"): - lengths = [l * 10 for l in self.GENBOX.length] + lengths = [length * 10 for length in self.GENBOX.length] angles = self.GENBOX.angles output_lines.append( "CRYST1{:>9.3f}{:>9.3f}{:>9.3f}{:>7.2f}{:>7.2f}{:>7.2f} P 1 1".format(*lengths, *angles) diff --git a/pygromos/files/trajectory/trc.py b/pygromos/files/trajectory/trc.py index d3d9df90..8fce5348 100644 --- a/pygromos/files/trajectory/trc.py +++ b/pygromos/files/trajectory/trc.py @@ -418,8 +418,8 @@ def parse_timestep(self, fh): def parse_genbox(self, fh): "Parse a genbox block from an iterator yielding lines (i.e., an open file)" next(fh) - lengths = tuple(float(l) for l in next(fh).split()) - angles = tuple(float(a) for a in next(fh).split()) + lengths = tuple(float(length) for length in next(fh).split()) + angles = tuple(float(angle) for angle in next(fh).split()) next(fh) next(fh) if next(fh).strip() != "END":