Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / GrossfieldLab/loos issues and pull requests
#110 - improve error messages with file names when possible
Issue -
State: open - Opened by lgsmith over 1 year ago
- 5 comments
#108 - Implement Mdtraj-hdf5 format
Pull Request -
State: closed - Opened by agrossfield over 1 year ago
- 3 comments
Labels: enhancement
#107 - File open error on list creation with hundreds of 'Trajectory' objects (needed for VirtualTrajectory init)
Issue -
State: open - Opened by lgsmith over 1 year ago
- 5 comments
#106 - svd vs big-svd, core dumping over atomic indices
Issue -
State: open - Opened by mmfarrugia over 1 year ago
- 12 comments
#105 - Create selectors for 'altloc' and the other various AG fields
Issue -
State: open - Opened by lgsmith almost 2 years ago
- 6 comments
#104 - Handle general periodic boxes
Issue -
State: open - Opened by agrossfield almost 2 years ago
- 1 comment
Labels: enhancement, help wanted
#103 - AlignedVirtualTrajectory doesn't work the right way when operating with a reference.
Issue -
State: closed - Opened by lgsmith almost 2 years ago
- 21 comments
#102 - Remove np.float, etc for compatibility with newest Numpy (> 1.24, I think)
Issue -
State: closed - Opened by agrossfield about 2 years ago
- 2 comments
Labels: bug, help wanted
#101 - added molecular order parameter to AtomicGroup
Pull Request -
State: closed - Opened by agrossfield about 2 years ago
#100 - pyloos doesn't always update when it should
Issue -
State: closed - Opened by agrossfield about 2 years ago
- 2 comments
Labels: bug
#99 - relax boost version on conda-forge distribution
Issue -
State: open - Opened by lgsmith about 2 years ago
- 26 comments
#98 - cmake doesn't detect BLAS libraries
Issue -
State: open - Opened by blakemertz about 2 years ago
- 11 comments
#94 - binaries in sub-directories of packages not installed
Issue -
State: closed - Opened by lgsmith about 2 years ago
#93 - ramachandran only does FW formatting for certain segments of output
Issue -
State: closed - Opened by lgsmith about 2 years ago
- 1 comment
#92 - make netcdf support mandatory, fix #91
Pull Request -
State: closed - Opened by agrossfield about 2 years ago
Labels: bug
#91 - Conda-forge package 4.0.2 doesn't have netcdf support
Issue -
State: closed - Opened by agrossfield about 2 years ago
- 3 comments
#90 - loos package is not available in conda-forge repository
Issue -
State: closed - Opened by RubenRam about 2 years ago
- 5 comments
#89 - Added subsection about env upgrade to 4.0
Pull Request -
State: closed - Opened by lgsmith about 2 years ago
- 2 comments
#88 - Installation fails on MacOS Monterey, Apple M1 Pro MBP
Issue -
State: closed - Opened by ayanb73 about 2 years ago
- 25 comments
#87 - Add documentation of uninstall and removal of binaries/compilation configs for cmake build
Issue -
State: closed - Opened by lgsmith over 2 years ago
- 4 comments
#82 - PDB ensembles instead of repeated calls to `createSystem`
Issue -
State: closed - Opened by lgsmith over 2 years ago
- 2 comments
#81 - included switch to cast int64 to slice type for numpy compatibility
Pull Request -
State: closed - Opened by lgsmith over 2 years ago
#80 - `np.int64` not recognized as index for AtomicGroupVector
Issue -
State: closed - Opened by lgsmith over 2 years ago
#79 - in python, loos.fileopenerror prints unicode garbage instead of file-path.
Issue -
State: closed - Opened by lgsmith over 2 years ago
- 3 comments
#78 - Hydrogen selector fails when the system uses hydrogen mass repartitioning
Issue -
State: closed - Opened by agrossfield almost 3 years ago
Labels: bug
#77 - Long bond finder and python uplift
Pull Request -
State: closed - Opened by lgsmith almost 3 years ago
- 3 comments
#76 - Fix LoosOptions pre-made command line options
Pull Request -
State: closed - Opened by agrossfield almost 3 years ago
#73 - integration with PLUMED
Issue -
State: closed - Opened by lgsmith almost 3 years ago
- 6 comments
#72 - LoosOptions can't print fullhelp and exit if there are required arguments
Issue -
State: open - Opened by lgsmith almost 3 years ago
- 3 comments
#71 - LOOSOptions fullhelp and description are not correctly used in some prebuilt tools
Issue -
State: closed - Opened by lgsmith almost 3 years ago
#70 - Merge changes from main into release candidate
Pull Request -
State: closed - Opened by agrossfield about 3 years ago
#69 - correctly export AtomicGroup.splitByName to python
Pull Request -
State: closed - Opened by agrossfield about 3 years ago
#68 - SplitByName usage in python script
Issue -
State: closed - Opened by agrossfield about 3 years ago
- 1 comment
#65 - Rama residues
Pull Request -
State: closed - Opened by lgsmith about 3 years ago
#64 - Added rare event detection tool
Pull Request -
State: closed - Opened by gracejulien about 3 years ago
- 1 comment
#63 - Fixed command line args issue with all_contacts.py
Pull Request -
State: closed - Opened by gracejulien over 3 years ago
- 1 comment
#62 - lipid_unwrap.py
Pull Request -
State: open - Opened by krb0073 over 3 years ago
- 2 comments
#57 - Stacking
Pull Request -
State: closed - Opened by agrossfield over 3 years ago
#56 - 2DRMSD
Pull Request -
State: open - Opened by aneesmkp over 3 years ago
- 1 comment
#49 - Python options
Pull Request -
State: closed - Opened by agrossfield over 3 years ago
#47 - gmxdump2pdb.pl correctly writes all bonds except the last residue of a given protein chain
Issue -
State: closed - Opened by jlotthammer over 3 years ago
- 3 comments
#46 - Bonds for Martini protein residues not applying correctly
Issue -
State: closed - Opened by robincorey over 3 years ago
- 6 comments
#45 - Orientalong: add new method to AtomicGroup to align along a supplied axis
Pull Request -
State: closed - Opened by agrossfield over 3 years ago
#44 - Fix tinker
Pull Request -
State: closed - Opened by agrossfield over 3 years ago
#41 - smoothed sharper edges of cluster-kgs
Pull Request -
State: closed - Opened by lgsmith almost 4 years ago
- 1 comment
#40 - Trouble using subsetter with OpenMM trajectories
Issue -
State: closed - Opened by MehtapIsik almost 4 years ago
- 10 comments
#39 - OCF tool
Pull Request -
State: closed - Opened by lgsmith about 4 years ago
- 13 comments
#37 - Gitignore upgrade
Pull Request -
State: closed - Opened by lgsmith about 4 years ago
- 4 comments
#36 - Make gitignore cleaner and more maintainable
Issue -
State: closed - Opened by agrossfield about 4 years ago
- 2 comments
#35 - merge-traj --regex and --scanf options should imply --sort
Issue -
State: closed - Opened by agrossfield about 4 years ago
- 1 comment
#33 - Weights default
Pull Request -
State: closed - Opened by lgsmith about 4 years ago
- 5 comments
#32 - Ocf tool
Pull Request -
State: closed - Opened by lgsmith about 4 years ago
- 1 comment
#31 - OMG/NAMD.py class not imposing constraints
Issue -
State: closed - Opened by krb0073 about 4 years ago
- 5 comments
#30 - Hard contacts
Pull Request -
State: closed - Opened by Poruthoor about 4 years ago
- 3 comments
#29 - Conda install
Pull Request -
State: closed - Opened by chapincavender over 4 years ago
#28 - ESP mesh tool
Pull Request -
State: closed - Opened by chapincavender over 4 years ago
- 6 comments
#27 - PyLoos: import loos won't release the GIL
Issue -
State: closed - Opened by dejunlin over 4 years ago
- 2 comments
#26 - python import doesn't work right in OSX
Issue -
State: closed - Opened by agrossfield almost 5 years ago
- 2 comments
#25 - Rgyr upgrade
Pull Request -
State: closed - Opened by lgsmith almost 5 years ago
- 2 comments
#24 - Dihedral
Pull Request -
State: closed - Opened by lgsmith almost 5 years ago
- 3 comments
#23 - OMG TM-helix LOOS Secondary structure
Issue -
State: closed - Opened by krb0073 about 5 years ago
- 3 comments
#22 - Conda only build
Pull Request -
State: closed - Opened by agrossfield about 5 years ago
#21 - Conda only build
Pull Request -
State: closed - Opened by lgsmith about 5 years ago
#20 - issues with cylindrical-density
Issue -
State: closed - Opened by VBurns about 5 years ago
- 5 comments
#19 - cluster_structures.py should write mediods instead of centroids
Issue -
State: closed - Opened by agrossfield over 5 years ago
- 1 comment
#18 - Clustering
Pull Request -
State: closed - Opened by lgsmith over 5 years ago
#17 - Problems running any of the rdf tools
Issue -
State: closed - Opened by krb0073 over 5 years ago
- 7 comments
#16 - Handling internal waters in omg.py
Pull Request -
State: closed - Opened by lsalases over 5 years ago
#15 - Fullhelper
Pull Request -
State: closed - Opened by lgsmith over 5 years ago
#14 - Fullhelper
Pull Request -
State: closed - Opened by lgsmith over 5 years ago
#13 - Clustering
Pull Request -
State: closed - Opened by lgsmith over 5 years ago
- 1 comment
#12 - Quick question : windows subsystem?
Issue -
State: closed - Opened by krb0073 over 5 years ago
- 3 comments
#11 - precision tool option for RMSD tools
Pull Request -
State: closed - Opened by lgsmith over 5 years ago
#10 - Added optional rotation of the protein in solvate.py and PSFGen.py
Pull Request -
State: closed - Opened by lsalases almost 6 years ago
#9 - Added atom names to salt segment in solvate.py
Pull Request -
State: closed - Opened by lsalases almost 6 years ago
#8 - Implement NMRCLUST
Issue -
State: closed - Opened by agrossfield almost 6 years ago
- 2 comments
Labels: enhancement
#7 - Compiling issue with scons
Issue -
State: closed - Opened by Alan-Rusty24 over 6 years ago
- 12 comments
#6 - Erroneous results from threaded tools with Fedora and openblas
Issue -
State: closed - Opened by tromo over 6 years ago
- 2 comments
#5 - cleaned up some unignored binaries.
Pull Request -
State: closed - Opened by lgsmith over 6 years ago
- 1 comment
#4 - Rms overlap
Pull Request -
State: closed - Opened by lgsmith over 6 years ago
#3 - Fullhelper
Pull Request -
State: closed - Opened by lgsmith over 6 years ago
- 2 comments
#2 - Added version 1.0 of native-hbs.py
Pull Request -
State: closed - Opened by lgsmith over 7 years ago
- 1 comment
#1 - Broken link in HTML docs
Issue -
State: closed - Opened by jhenin almost 8 years ago
- 2 comments