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GitHub / bioexcel/biobb_analysis issues and pull requests

#22 - In gmx_image the "output_selection" property is ignored if "center" is False

Issue - State: closed - Opened by PauAndrio about 1 year ago - 2 comments
Labels: stale

#21 - Make "input_top_path" optional in gmx_image

Issue - State: closed - Opened by PabloNA97 over 1 year ago - 2 comments
Labels: stale

#20 - -nofit option for gmx_cluster

Issue - State: closed - Opened by PabloNA97 over 1 year ago - 3 comments

#19 - Additional output files in gmx_cluster

Issue - State: closed - Opened by PabloNA97 over 1 year ago - 1 comment

#18 - Fix get_selection_index_file ResourceWarning

Pull Request - State: closed - Opened by pgbarletta over 1 year ago

#17 - Allow for amber mask format and add 'nofit, norotate and nomod' arguments to cpptraj_rms

Pull Request - State: closed - Opened by ndonyapour almost 2 years ago - 3 comments

#16 - Add Amber syntax atoms selection mask argument to the `cpptraj_*` functions.

Issue - State: closed - Opened by ndonyapour almost 2 years ago - 3 comments

#15 - Fix stage_io_dict bug due to new stage_files()

Pull Request - State: closed - Opened by pgbarletta almost 2 years ago - 6 comments

#14 - Added 'cluster_selection' option.

Pull Request - State: closed - Opened by pgbarletta almost 2 years ago

#13 - GMXImage: new handling of selections breaks -pbc cluster

Issue - State: closed - Opened by pgbarletta about 2 years ago - 2 comments

#12 - Selection not working on gmx_trjconv_trj if index file not given as input

Issue - State: closed - Opened by adamhospital about 2 years ago - 1 comment

#10 - Fix: `fit_selection` attribute in GMXTrjConvStrEns should be `selection`

Pull Request - State: closed - Opened by pgbarletta over 2 years ago - 1 comment

#9 - Cpptraj bbs solute atoms definition

Issue - State: closed - Opened by adamhospital over 3 years ago - 1 comment

#7 - cpptraj_rgyr example missing in documentation

Issue - State: closed - Opened by adamhospital over 3 years ago

#6 - Adding skip and remove the default end from command line

Pull Request - State: closed - Opened by PauAndrio over 4 years ago

#5 - Restart failure

Issue - State: closed - Opened by adamhospital almost 5 years ago

#4 - Cpptraj modules names

Issue - State: closed - Opened by gbayarri almost 5 years ago

#3 - Add a new gmx trjconv building block

Issue - State: closed - Opened by PauAndrio over 5 years ago - 1 comment

#2 - Add Command line documentation.

Issue - State: closed - Opened by PauAndrio over 5 years ago - 2 comments

#1 - Cpptraj dev

Pull Request - State: closed - Opened by gbayarri almost 6 years ago