Ecosyste.ms: Issues
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GitHub / mdtraj/mdtraj issues and pull requests
#1693 - how to skip "WARNING: two consecutive residues with same number (PRO, VAL)" when loading a gro file?
Issue -
State: closed - Opened by lucl13 over 2 years ago
- 1 comment
Labels: wontfix
#1691 - Support from reading from File like objects
Issue -
State: closed - Opened by salotz-sitx over 2 years ago
- 4 comments
Labels: wontfix
#1690 - Cannot load trajectory file from Desmond for two small molecules.
Issue -
State: closed - Opened by kurokawaikki over 2 years ago
- 3 comments
Labels: wontfix
#1689 - Molecules center of mass
Issue -
State: closed - Opened by gabriela-correa over 2 years ago
- 3 comments
Labels: wontfix
#1678 - Baker Hubbard return prevalence
Issue -
State: closed - Opened by agheeraert over 2 years ago
- 1 comment
Labels: wontfix
#1675 - Added handling of chimera-style indexing for PDB
Pull Request -
State: closed - Opened by PolyachenkoYA over 2 years ago
- 7 comments
Labels: wontfix
#1673 - Support for loading only specific fields on `File.read`
Issue -
State: closed - Opened by salotz-sitx almost 3 years ago
- 1 comment
Labels: wontfix
#1672 - Support unitcell/box vectors as `Trajectory()` constructor argument
Issue -
State: closed - Opened by salotz-sitx almost 3 years ago
- 1 comment
Labels: wontfix
#1671 - Add atom selection via `atom_indices` to SASA computation, tests added
Pull Request -
State: closed - Opened by gph82 almost 3 years ago
- 1 comment
Labels: wontfix
#1670 - Added atom selection for SASA
Issue -
State: closed - Opened by gph82 almost 3 years ago
- 5 comments
Labels: wontfix
#1669 - `XTCTrajectoryFile` missing `n_frames` attribute
Issue -
State: closed - Opened by salotz-sitx almost 3 years ago
- 1 comment
Labels: wontfix
#1667 - Exporting an pdb file of a centroid from traj clustering
Issue -
State: closed - Opened by tanoury1 almost 3 years ago
- 1 comment
Labels: wontfix
#1666 - getting a average of some PDB structure from trajectory
Issue -
State: closed - Opened by AhmetGG almost 3 years ago
- 4 comments
Labels: wontfix
#1665 - don't allow non-sorted or non-unique indices in atom_slice
Pull Request -
State: closed - Opened by sroet almost 3 years ago
- 5 comments
Labels: wontfix
#1664 - using atom_slice with nonsequential indices gives incorrect topology
Issue -
State: closed - Opened by mizimmer90 almost 3 years ago
- 1 comment
Labels: bug, wontfix
#1662 - compute_displacement_t function
Issue -
State: closed - Opened by VietNguyen120195 almost 3 years ago
- 2 comments
Labels: wontfix
#1660 - `AmberRestartFile` missing `num_frames` kwarg in `read_as_traj`
Issue -
State: closed - Opened by salotz-sitx almost 3 years ago
- 2 comments
Labels: wontfix
#1658 - compute_neighbors compute_neighborlist and compute_contacts are giving me a strange result
Issue -
State: closed - Opened by MauriceKarrenbrock almost 3 years ago
- 4 comments
Labels: wontfix
#1653 - Unknown format errors should not be `IOError`/`OSError`
Issue -
State: closed - Opened by salotz-sitx about 3 years ago
- 3 comments
Labels: wontfix
#1649 - Make all the _TOPOLOGY_EXTS file parsers accept top as an input
Issue -
State: closed - Opened by MauriceKarrenbrock about 3 years ago
- 1 comment
Labels: wontfix
#1636 - Possible MDtraj reading issue for a 1 atom molecule mol2 files
Issue -
State: closed - Opened by bc118 about 3 years ago
- 8 comments
Labels: bug, wontfix
#1611 - Incorrect PDB atom indices
Issue -
State: closed - Opened by SimonBoothroyd over 3 years ago
- 6 comments
Labels: wontfix
#1600 - Selecting atom indices within a particular distance
Issue -
State: closed - Opened by mayankb3192 over 3 years ago
- 6 comments
Labels: wontfix
#1594 - memory allocation when opening XTC trajectory on OSX Catalina
Issue -
State: closed - Opened by tubiana over 3 years ago
- 8 comments
#1590 - doc build for out-of-core (iterload) can't find data/frame0.h5
Issue -
State: closed - Opened by drew-parsons over 3 years ago
- 4 comments
Labels: bug, docs, wontfix
#1531 - mdconvert can not convert .DCD file (2.8 GB) to .pdb file
Issue -
State: closed - Opened by hima111997 over 4 years ago
- 8 comments
Labels: wontfix
#1398 - residue.is_nucleic and 'nucleic' in atom selection DSL
Pull Request -
State: open - Opened by dwhswenson over 5 years ago
- 10 comments
Labels: wontfix
#1261 - convert amber trajectory to desmond compatible (cms with trj)
Issue -
State: closed - Opened by amrhamedp about 7 years ago
- 8 comments
#1127 - Problem with Baker-Hubbard H-bond analysis
Issue -
State: closed - Opened by karel10 about 8 years ago
- 5 comments
#1016 - atom-names in MET residue
Issue -
State: closed - Opened by gph82 over 8 years ago
- 27 comments
Labels: wontfix