From 664bc4129f76b1227e7f28f73e7c88ef04afe9ff Mon Sep 17 00:00:00 2001 From: Jakob Gamper <97gamjak@gmail.com> Date: Tue, 14 May 2024 00:18:12 +0200 Subject: [PATCH 1/3] added bugfix to --nobox arg in gen2xyz --- PQAnalysis/cli/gen2xyz.py | 1 + 1 file changed, 1 insertion(+) diff --git a/PQAnalysis/cli/gen2xyz.py b/PQAnalysis/cli/gen2xyz.py index 216b4d1e..8f86d360 100644 --- a/PQAnalysis/cli/gen2xyz.py +++ b/PQAnalysis/cli/gen2xyz.py @@ -69,6 +69,7 @@ def add_arguments(cls, parser: _ArgumentParser) -> None: parser.add_argument( '--nobox', action='store_true', + default=False, help='Do not print the box.' ) From 2d43ec6e53d868453a0613f9242fcb759c52e489 Mon Sep 17 00:00:00 2001 From: Jakob Gamper <97gamjak@gmail.com> Date: Tue, 14 May 2024 00:18:38 +0200 Subject: [PATCH 2/3] added bugfix to --nobox arg in rst2xyz --- PQAnalysis/cli/rst2xyz.py | 1 + 1 file changed, 1 insertion(+) diff --git a/PQAnalysis/cli/rst2xyz.py b/PQAnalysis/cli/rst2xyz.py index 89599699..fc99aa65 100644 --- a/PQAnalysis/cli/rst2xyz.py +++ b/PQAnalysis/cli/rst2xyz.py @@ -69,6 +69,7 @@ def add_arguments(cls, parser: _ArgumentParser) -> None: parser.add_argument( '--nobox', action='store_true', + default=False, help='Do not print the box.' ) From 6c22aa6b38fe2f6fee7f1db3905c05c3a562c5c9 Mon Sep 17 00:00:00 2001 From: Jakob Gamper <97gamjak@gmail.com> Date: Tue, 14 May 2024 00:19:13 +0200 Subject: [PATCH 3/3] added bugfix to --vmd arg in traj2box --- PQAnalysis/cli/traj2box.py | 1 + 1 file changed, 1 insertion(+) diff --git a/PQAnalysis/cli/traj2box.py b/PQAnalysis/cli/traj2box.py index 93cd7311..2b2bc3ae 100644 --- a/PQAnalysis/cli/traj2box.py +++ b/PQAnalysis/cli/traj2box.py @@ -74,6 +74,7 @@ def add_arguments(cls, parser: _ArgumentParser) -> None: parser.add_argument( '--vmd', action='store_true', + default=False, help='Output in VMD format.' )