Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / Discngine/fpocket issues and pull requests
#112 - Wrong fpocket menu when testing the command
Issue -
State: open - Opened by FerrarV 9 months ago
#111 - Can I use fpocket to generate cavity spheres?
Issue -
State: open - Opened by DipeshSomvanshi 11 months ago
Labels: question
#110 - Reformat Info Text Output into Json Format
Issue -
State: open - Opened by Spill-Tea 11 months ago
#109 - change umlauts to normal O's
Pull Request -
State: closed - Opened by ElizaKartchner about 1 year ago
- 1 comment
#108 - Wrong folder used for output files with fpocket [debian:11-slim]
Issue -
State: open - Opened by odemengeon about 1 year ago
#107 - Chain names longer than two characters
Issue -
State: open - Opened by nurulnad about 1 year ago
- 4 comments
#106 - Provide Windows build
Issue -
State: open - Opened by colingcresset about 1 year ago
#105 - Segmentation fault error with -P flag
Issue -
State: open - Opened by tugceoruc about 1 year ago
- 2 comments
#104 - Specify output directory with fpocket.
Issue -
State: open - Opened by egurapha about 1 year ago
Labels: question
#103 - MDpocket protein-protein complex error #question
Issue -
State: open - Opened by H-EKE over 1 year ago
#102 - dpocket on apo-structures
Issue -
State: open - Opened by fgentile89 over 1 year ago
Labels: question
#101 - dpocket-pocket volume reduces in the presence of HETATMs
Issue -
State: closed - Opened by Peter-obi over 1 year ago
Labels: question
#100 - Problem compiling fpocket 4.1
Issue -
State: open - Opened by xavgit over 1 year ago
- 4 comments
#99 - Running fpocket on Compute Canada
Issue -
State: open - Opened by RC-2000 over 1 year ago
- 1 comment
Labels: question
#98 - Unable to run fpocket due to missing stdlibc++ libraries
Issue -
State: open - Opened by RC-2000 over 1 year ago
#97 - Adding support for definition of explicit pockets
Pull Request -
State: closed - Opened by pschmidtke over 1 year ago
#96 - *
Issue -
State: closed - Opened by danplischke over 1 year ago
- 1 comment
#95 - mdpocket libnetcdf.so.15 error
Issue -
State: open - Opened by anicoli over 1 year ago
#94 - MDpocket output not complete
Issue -
State: open - Opened by debarati31 over 1 year ago
- 1 comment
Labels: question
#93 - mdpocket on aligned AMBER trajectory in pdb format
Issue -
State: open - Opened by debarati31 over 1 year ago
#92 - <mdpocket> analysing snapshot 46! No Pockets Found while refining
Issue -
State: open - Opened by H-EKE over 1 year ago
- 4 comments
Labels: question
#91 - pdbxplugin) ERROR: could not reallocate bonds array.
Issue -
State: open - Opened by amin-sagar over 1 year ago
#90 - dpocket tying dpout_fpocketnp.txt pocket predictions to pocket locations in 3D space
Issue -
State: closed - Opened by czabriskie over 1 year ago
- 1 comment
Labels: question
#89 - Reinstating POL atom types
Pull Request -
State: open - Opened by jepdavidson over 1 year ago
- 1 comment
#88 - [Snyk] Security upgrade ubuntu from latest to kinetic-20220830
Pull Request -
State: closed - Opened by PeyratG over 1 year ago
- 1 comment
#87 - [Snyk] Security upgrade ubuntu from latest to 22.04
Pull Request -
State: closed - Opened by PeyratG over 1 year ago
- 1 comment
#86 - Fix header typo for easier parsing
Pull Request -
State: closed - Opened by jordansafer over 1 year ago
- 1 comment
#85 - data files
Pull Request -
State: closed - Opened by pschmidtke over 1 year ago
#84 - Druggability score from MDpocket
Issue -
State: open - Opened by aishwaryshivgan almost 2 years ago
- 2 comments
Labels: question
#83 - About using mdpocket
Issue -
State: open - Opened by TianmingQu about 2 years ago
Labels: question
#82 - Using in Google Colab
Issue -
State: closed - Opened by drorhunvural about 2 years ago
Labels: question
#81 - Why is fpocket not rotationally invariant?
Issue -
State: closed - Opened by Finnem about 2 years ago
- 2 comments
Labels: question
#80 - Remove memory leak
Pull Request -
State: open - Opened by AlbertoSibylla over 2 years ago
- 1 comment
#79 - MDpocket doubt
Issue -
State: closed - Opened by pschmidtke over 2 years ago
- 3 comments
Labels: question
#78 - Cysteines number does not match the actual input
Issue -
State: open - Opened by areyesromero over 2 years ago
- 2 comments
#77 - Membrane protein
Issue -
State: open - Opened by d-beltran over 2 years ago
- 2 comments
Labels: enhancement, question
#76 - Writing pdb output with -w b is broken
Issue -
State: open - Opened by pschmidtke over 2 years ago
#75 - Hardcoded /tmp fails on systems without it
Issue -
State: closed - Opened by jsoerensen over 2 years ago
- 7 comments
#74 - MDpocket pocket characterization segmentation fault
Issue -
State: open - Opened by obaedaakkad over 2 years ago
- 3 comments
Labels: bug
#73 - Explicit ligand definition only works for pdb, but not cif
Issue -
State: open - Opened by pschmidtke over 2 years ago
Labels: bug
#72 - Score is calculated twice. Please verify which is appropriate.
Issue -
State: open - Opened by chrisroat over 2 years ago
#71 - License for fpocket2
Issue -
State: closed - Opened by durrantlab almost 3 years ago
- 1 comment
Labels: question
#70 - change docker image from CentOS to Ubuntu
Pull Request -
State: closed - Opened by hhaootian almost 3 years ago
- 2 comments
#69 - Problems compiling with M1 chip Mac
Issue -
State: closed - Opened by SianXiaoCHN almost 3 years ago
- 6 comments
Labels: question, compilation
#68 - Docker image fail to run
Issue -
State: closed - Opened by hhaootian almost 3 years ago
- 3 comments
Labels: question
#67 - Fpocket doesn't identify pockets of the desired holo protein structures
Issue -
State: open - Opened by srdjanma almost 3 years ago
#66 - Asa speedup
Pull Request -
State: closed - Opened by qyuan7 about 3 years ago
#65 - Know the location of each pocket
Issue -
State: open - Opened by PabloIriso about 3 years ago
- 2 comments
Labels: question
#64 - Segmentation fault running MDpocket
Issue -
State: open - Opened by KleinesMesser about 3 years ago
- 4 comments
Labels: bug
#63 - Correct typo in mdpout.c
Pull Request -
State: closed - Opened by qyuan7 about 3 years ago
#62 - Why are the default parameters different from those published in the paper?
Issue -
State: closed - Opened by qyuan7 about 3 years ago
- 1 comment
Labels: question
#61 - what's behind "exceeding memory size for each grid element"?
Issue -
State: open - Opened by leonardblaschek about 3 years ago
- 3 comments
Labels: question
#60 - Which is the pocket volumes unit of measurement?
Issue -
State: closed - Opened by d-beltran over 3 years ago
- 2 comments
Labels: question
#59 - Documentation stuff missing
Pull Request -
State: closed - Opened by pschmidtke over 3 years ago
#58 - issues to compile the code with macOS Big Sur 11.1
Issue -
State: closed - Opened by rrako14 over 3 years ago
- 2 comments
Labels: question
#57 - Generate pdb of only the ligand in the orignal pdb
Issue -
State: closed - Opened by Chokerino over 3 years ago
- 2 comments
Labels: question
#56 - Analyze or find specific pocket by xyz coordinates
Issue -
State: closed - Opened by davidRFB over 3 years ago
- 4 comments
Labels: question
#55 - Update GETTINGSTARTED.md
Pull Request -
State: closed - Opened by hhaootian almost 4 years ago
#54 - Pytests fail after installation from source
Issue -
State: closed - Opened by MSchauperl almost 4 years ago
- 1 comment
Labels: question
#53 - Mmcif
Pull Request -
State: closed - Opened by ShorkarMael almost 4 years ago
#52 - Running f-pocket on multiple protein structures
Issue -
State: closed - Opened by islem1994 almost 4 years ago
- 2 comments
Labels: bug, question
#51 - Explicit pocket and keep chains
Pull Request -
State: closed - Opened by ShorkarMael about 4 years ago
- 2 comments
#50 - Allow user to define chains on which to search for pockets -> keep chains.
Issue -
State: closed - Opened by pschmidtke about 4 years ago
#49 - docker file and documentation update
Pull Request -
State: closed - Opened by pschmidtke about 4 years ago
#48 - Set up peptide/ protein reference data set for peptide parameter training & scoring function training
Issue -
State: open - Opened by pschmidtke about 4 years ago
#47 - Enable automated build & test on azure pipelines
Issue -
State: closed - Opened by pschmidtke about 4 years ago
#46 - Test to delete
Pull Request -
State: closed - Opened by ShorkarMael about 4 years ago
- 5 comments
#45 - Testing
Pull Request -
State: closed - Opened by pschmidtke about 4 years ago
#44 - Generate non regression testing framework
Issue -
State: closed - Opened by pschmidtke about 4 years ago
Labels: testing
#43 - adding conda install instructions
Pull Request -
State: closed - Opened by pschmidtke about 4 years ago
#42 - Documentation
Pull Request -
State: closed - Opened by pschmidtke about 4 years ago
#41 - Integrate mmcif parser
Issue -
State: closed - Opened by pschmidtke about 4 years ago
Labels: enhancement
#40 - Enable functional fpocket test
Issue -
State: open - Opened by pschmidtke about 4 years ago
#39 - Port documentation to md on github
Issue -
State: closed - Opened by pschmidtke about 4 years ago
- 2 comments
Labels: documentation
#38 - Enable docker support for fpocket & mdpocket
Issue -
State: closed - Opened by pschmidtke about 4 years ago
#37 - Enable use of external file to define a protected HETATM list
Issue -
State: open - Opened by pschmidtke about 4 years ago
Labels: enhancement
#36 - Allow override of predefined HETATM's in fpocket
Issue -
State: open - Opened by pschmidtke about 4 years ago
Labels: enhancement
#35 - Enable explicit pocket detection considering an entire chain as a ligand
Issue -
State: closed - Opened by pschmidtke about 4 years ago
Labels: enhancement
#34 - test
Pull Request -
State: closed - Opened by ShorkarMael about 4 years ago
#33 - fpocket generates huge pockets for 3qmn
Issue -
State: open - Opened by pschmidtke about 4 years ago
#32 - topology file
Issue -
State: closed - Opened by pschmidtke about 4 years ago
#31 - Additional OS-X install instructions
Issue -
State: closed - Opened by PatWalters about 4 years ago
- 1 comment
#30 - Error analyzing Gromacs xtc file with mdpocket
Issue -
State: open - Opened by mverissi about 4 years ago
- 1 comment
Labels: bug
#29 - fix mdpocket to allow for reading in list of pdb files
Pull Request -
State: closed - Opened by drewnutt about 4 years ago
- 1 comment
#28 - Create LICENSE
Pull Request -
State: closed - Opened by pschmidtke over 4 years ago
#27 - Erroneously accusing missing file
Issue -
State: open - Opened by pslacerda over 4 years ago
- 1 comment
Labels: bug
#26 - Segmentation fault on large dataset
Issue -
State: open - Opened by pslacerda over 4 years ago
- 4 comments
#25 - qhull input error
Issue -
State: open - Opened by pslacerda over 4 years ago
- 2 comments
#24 - mdpocket with --pdb_list flag just returns the help page
Issue -
State: closed - Opened by joanGmcd over 4 years ago
- 7 comments
Labels: bug
#23 - Containerized deployment option
Issue -
State: open - Opened by CharlieLaughton over 4 years ago
- 1 comment
#22 - Can I write a PKGBUILD and upload your script in AUR
Issue -
State: closed - Opened by artefaritaKuniklo over 4 years ago
- 1 comment
#21 - License
Issue -
State: closed - Opened by simonbray almost 5 years ago
- 2 comments
#20 - Conda package
Issue -
State: closed - Opened by simonbray almost 5 years ago
- 3 comments
#19 - Output score interpretation (fpocket)
Issue -
State: open - Opened by V-JJ almost 5 years ago
#18 - fpocket installation error in MacOS Mojave
Issue -
State: closed - Opened by rajiv03 over 5 years ago
- 4 comments
#17 - drug_score value is zero in dpocket output results
Issue -
State: open - Opened by SuMinyi over 5 years ago
- 5 comments
#16 - Is it possible to use fpocket to compare two binding sites?
Issue -
State: closed - Opened by diallobakary4 over 5 years ago
- 1 comment
#15 - No output from mdpocket on ubuntu 16.04
Issue -
State: closed - Opened by compchemeric almost 6 years ago
- 2 comments
#14 - Examples / tests / manual entry for mdpocket
Issue -
State: open - Opened by gmseabra almost 6 years ago
#13 - Pocket detection fails on batch of structures
Issue -
State: closed - Opened by pschmidtke almost 6 years ago
- 1 comment