Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / ccsb-scripps/AutoDock-Vina issues and pull requests
#145 - Batch overwrite
Pull Request -
State: closed - Opened by diogomart almost 2 years ago
#144 - Ligand converting with hydration adding bad bonds
Issue -
State: closed - Opened by tanzibin108 almost 2 years ago
- 1 comment
#143 - Missing --log option
Issue -
State: closed - Opened by sdevita7 almost 2 years ago
- 1 comment
#142 - Ligand convert problem
Issue -
State: closed - Opened by lh12565 almost 2 years ago
- 3 comments
#141 - Get error while opening protein files
Issue -
State: closed - Opened by MrDizzy13 almost 2 years ago
- 4 comments
#140 - Autogrid4 maps error when some ligands do not contain OA or HD atom types
Issue -
State: closed - Opened by isilkajun almost 2 years ago
- 9 comments
#139 - add swig exception for pdbqt_parse_error
Pull Request -
State: closed - Opened by shazj99 almost 2 years ago
- 1 comment
#138 - Batch overwrite
Pull Request -
State: closed - Opened by jfennick almost 2 years ago
- 5 comments
#137 - output message hiding
Issue -
State: closed - Opened by youngyanyoung about 2 years ago
- 4 comments
#136 - issue installing vina with pip into conda environment
Issue -
State: closed - Opened by meservey about 2 years ago
- 3 comments
#135 - QUESTION: What is the likelihood that the vina python bindings are broken for the new python patch update.
Issue -
State: closed - Opened by EChung0111 about 2 years ago
- 2 comments
#134 - python function "set_weights()" makes no change to vinardo's gird maps after I reset weights
Issue -
State: closed - Opened by UR-Free about 2 years ago
- 1 comment
#133 - Discrepancy between global search final poses energies and re-scored energies (--score_only)
Issue -
State: open - Opened by anaome about 2 years ago
- 4 comments
#132 - How do a student (who is new to this area) learn to build up a docking programe like AutoDock Vina?
Issue -
State: closed - Opened by JonasLi-19 about 2 years ago
- 2 comments
#131 - Problems about docking As atoms
Issue -
State: closed - Opened by Panzer-vor-08 about 2 years ago
- 7 comments
#130 - How to fix the 'Error: could not open "1.pdbqt" for reading.'
Issue -
State: closed - Opened by firesky123 about 2 years ago
- 2 comments
#129 - How can I get log file in 1.2.x version
Issue -
State: closed - Opened by firesky123 about 2 years ago
- 3 comments
#128 - Question: Is there a way to get the individual terms for the scoring function after docking using python?
Issue -
State: closed - Opened by EChung0111 about 2 years ago
- 3 comments
#127 - 1.2.3 installers for Mac and Linux are not archives
Issue -
State: closed - Opened by mishaguy about 2 years ago
- 12 comments
#126 - Sorry, there are no Gasteiger parameters available for atom 6hn3:A:SEC46:SE
Issue -
State: closed - Opened by yifeng-li about 2 years ago
- 4 comments
#125 - Question: Units convert from ESU to SI, how to calculate constant 332.06363?
Issue -
State: closed - Opened by zhongxiang117 about 2 years ago
- 3 comments
#124 - Build x86_64 and aarch64 Python wheels for Linux
Pull Request -
State: closed - Opened by martin-g about 2 years ago
- 3 comments
#123 - Add CI step for building vina for Linux ARM64
Pull Request -
State: closed - Opened by martin-g about 2 years ago
#122 - [question] The affinity value is too low or too high
Issue -
State: closed - Opened by Dr-Yi-Li about 2 years ago
- 10 comments
#121 - Constraint docking support?
Issue -
State: closed - Opened by luwei0917 about 2 years ago
- 1 comment
#120 - [Question] Is ARM64 supported ?
Issue -
State: closed - Opened by gancho-ivanov about 2 years ago
- 6 comments
#119 - Different result when running mk_prepare_ligand.py
Issue -
State: closed - Opened by jiayuanz3 about 2 years ago
- 3 comments
#118 - Added ability to only link static Boost libraries.
Pull Request -
State: closed - Opened by atillack about 2 years ago
#117 - H-bonds
Issue -
State: closed - Opened by Celtis-australis about 2 years ago
- 9 comments
#116 - Windows version not working
Issue -
State: closed - Opened by YuHsienLin over 2 years ago
- 3 comments
#115 - ERROR: The receptor or affinity maps must be specified
Issue -
State: closed - Opened by MarcAmil30 over 2 years ago
- 1 comment
#114 - Result difference
Issue -
State: closed - Opened by Jooyun1983 over 2 years ago
- 1 comment
#113 - Missing files from docking example
Issue -
State: closed - Opened by misterbrandonwalker over 2 years ago
- 1 comment
#112 - Question: error on ligand is outside the grid box
Issue -
State: open - Opened by mosizei over 2 years ago
- 23 comments
Labels: question
#111 - Autodock4Zn tutorial
Issue -
State: closed - Opened by Jameel9 over 2 years ago
- 5 comments
#110 - python script example error
Issue -
State: closed - Opened by ydzdfci over 2 years ago
- 1 comment
#109 - bug in prepare_receptor4.py: -e flag does not have any effect
Issue -
State: closed - Opened by rczerminski-valo over 2 years ago
- 2 comments
#108 - Mg ions in a polymerase
Issue -
State: open - Opened by Jameel9 over 2 years ago
- 4 comments
#107 - converting pdbqt files back to sdf/mol2
Issue -
State: closed - Opened by ccbiozhaw over 2 years ago
- 3 comments
#105 - Flexible docking tutorial : no HD map file after autogrid4
Issue -
State: closed - Opened by mandar5335 over 2 years ago
- 4 comments
#103 - Incorporate Smina's ability to incorporate custom scoring functions
Issue -
State: open - Opened by DarthSaddest over 2 years ago
- 1 comment
#100 - Add exception PDBQT_PARSE_ERROR for python
Pull Request -
State: closed - Opened by SSSSSimon over 2 years ago
- 1 comment
#99 - PDBQT parsing error: Atom type D is not a valid AutoDock type (atom types are case-sensitive).
Issue -
State: closed - Opened by anaome over 2 years ago
- 7 comments
#98 - Exhaustibility, box size, and consistency
Issue -
State: closed - Opened by DarthSaddest over 2 years ago
- 3 comments
#96 - python support for Mac m1
Issue -
State: open - Opened by hnisonoff over 2 years ago
- 1 comment
#95 - Conformations and Docking
Issue -
State: closed - Opened by DarthSaddest over 2 years ago
- 4 comments
#91 - Grid spacing when using Vina
Issue -
State: closed - Opened by ghscheiffer over 2 years ago
- 5 comments
#90 - Variability in docking scores across multiple runs with the same predicted pose
Issue -
State: open - Opened by bnovakborna over 2 years ago
- 5 comments
#89 - using --batch option to dock several hundred molecules
Issue -
State: closed - Opened by sajad-stack over 2 years ago
- 2 comments
#88 - Fix conda check
Pull Request -
State: closed - Opened by nfzd over 2 years ago
- 2 comments
#87 - Fix Vina(..) arguments in vina_cli.py
Pull Request -
State: closed - Opened by peterbygrave over 2 years ago
- 2 comments
#85 - Error when try install with pip command
Issue -
State: open - Opened by deeplearchem over 2 years ago
- 1 comment
#84 - compile in macOS chip M1
Issue -
State: open - Opened by hotwa over 2 years ago
- 2 comments
#82 - Hydrated Docking - Dry.py error
Issue -
State: open - Opened by jfair32 over 2 years ago
- 5 comments
#78 - Rigid receptor tutorial - different to solutions
Issue -
State: open - Opened by JosephPParker over 2 years ago
- 1 comment
#77 - Vina API multiple ligand docking, showing no conformation generation
Issue -
State: open - Opened by SynchronyML over 2 years ago
- 1 comment
Labels: question
#74 - Failed to load grid map - python script
Issue -
State: closed - Opened by nimijkrap over 2 years ago
- 3 comments
#71 - Please make a batch submission example.
Issue -
State: closed - Opened by jpmfc6 almost 3 years ago
- 5 comments
#69 - Python script: Rigid docking with AD4 Scoring Function
Issue -
State: open - Opened by kimnupjuk almost 3 years ago
- 5 comments
#67 - Run local_only with explicit receptor atoms
Issue -
State: open - Opened by clockhart almost 3 years ago
Labels: enhancement
#60 - Vina pip installation issue
Issue -
State: closed - Opened by mandar5335 almost 3 years ago
- 3 comments
#47 - Result with seed is not reproducible using the python version vina, and also differ from the one shown in the tutorial document
Issue -
State: closed - Opened by chiwwong almost 3 years ago
- 1 comment
#46 - code or method generating the receptor input file for the tutorial
Issue -
State: open - Opened by chiwwong almost 3 years ago
Labels: documentation
#39 - ubuntu 20.04 crashes
Issue -
State: closed - Opened by sherwoodyao about 3 years ago
- 5 comments
#10 - Unable to execute.
Issue -
State: closed - Opened by debanjansen48 about 3 years ago
- 7 comments