Ecosyste.ms: Issues

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GitHub / girke-lab/ChemmineOB issues and pull requests

#43 - ChemmineOB install problems.

Issue - State: open - Opened by kenlo1 2 months ago - 5 comments

#42 - ChemmineOB doesn't compile with newer versions of openbabel

Issue - State: closed - Opened by Kupac 4 months ago - 1 comment

#41 - update link to release version in README

Pull Request - State: open - Opened by Aariq 7 months ago

#38 - R install failing with fatal error: 'openbabel/obutil.h' file not found

Issue - State: closed - Opened by CLUES-Emory 11 months ago - 1 comment

#37 - InChI not generated on windows version

Issue - State: closed - Opened by Aariq 11 months ago - 3 comments

#36 - Update OpenBabel version bundled with windows?

Issue - State: closed - Opened by Aariq 11 months ago - 1 comment

#35 - ChemmineOB not compiling from Bioconductor in Mac 13.5.2

Issue - State: closed - Opened by deb-m 12 months ago - 23 comments

#34 - Build error: `Symbol not found: __ZN9OpenBabel8OBPlugin7DisplayERSsPKcS3_`

Issue - State: closed - Opened by barracuda156 over 1 year ago - 4 comments

#33 - r-universe build failing on vignette

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

#32 - Different binary fingerprints obtained from ChemmineOB and OBabel cli

Issue - State: closed - Opened by tcaceresm over 1 year ago - 2 comments

#31 - segfault on Ubuntu due to clashing symbols with `grDevices::rgb()`

Issue - State: closed - Opened by Aariq over 1 year ago - 9 comments

#30 - Fix the syntax for passing configure arguments

Pull Request - State: open - Opened by martin-g over 1 year ago

#29 - fatal error in convertFormat (SDF to SMI)

Issue - State: closed - Opened by ethanbass almost 2 years ago - 1 comment

#28 - Loading failure when installing

Issue - State: closed - Opened by AmiyaKirizi almost 2 years ago - 7 comments

#27 - fingerprintOB fails with MACCS

Issue - State: closed - Opened by eerisman over 2 years ago - 4 comments

#26 - ChemmineOB installation failed

Issue - State: closed - Opened by AgnieszkaGajewicz about 3 years ago - 1 comment

#25 - ChemmineOB install trouble

Issue - State: closed - Opened by kenlo1 almost 4 years ago - 8 comments

#24 - Install problems

Issue - State: closed - Opened by lizzydizzy42 almost 5 years ago - 2 comments

#23 - Failed to install ChemmineOB package

Issue - State: closed - Opened by QizhiSu almost 5 years ago - 14 comments

#22 - convertFormat error

Issue - State: closed - Opened by QizhiSu almost 5 years ago - 29 comments

#21 - Hardwired dependency on openbabel v2

Issue - State: closed - Opened by eddelbuettel almost 5 years ago - 2 comments

#20 - regenerateCoords fails in ChemmineR vignette

Issue - State: closed - Opened by jarrodscott about 5 years ago - 2 comments

#19 - Library not loaded: libopenbabel.5.dylib

Issue - State: closed - Opened by ktbaek about 5 years ago - 3 comments

#18 - How to convert structure from inchi to smiles using ChemmineOB

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

#17 - Trouble Installing ChemmineOB on RHEL

Issue - State: closed - Opened by osker130 almost 6 years ago - 1 comment

#16 - Segmentation Faults

Issue - State: closed - Opened by reventropy over 6 years ago - 1 comment

#15 - BiocView Metabolomics instead of (or addition to) Proteomics ?

Issue - State: closed - Opened by sneumann over 6 years ago - 1 comment

#14 - Error Installing ChemmineOB on Ubuntu 18.04 within RStudio

Issue - State: closed - Opened by anusurendra over 6 years ago - 2 comments

#13 - Error: package or namespace load failed for ‘ChemmineOB’

Issue - State: closed - Opened by denzilc over 7 years ago

#12 - Avoid formatting output

Issue - State: closed - Opened by sneumann about 8 years ago - 1 comment

#11 - Cannot install ChemmineOB

Issue - State: closed - Opened by joannazbijewska about 8 years ago - 1 comment

#10 - add substructure search

Issue - State: closed - Opened by khoran over 10 years ago - 1 comment
Labels: enhancement

#9 - make inchi strings available on windows

Issue - State: closed - Opened by khoran over 10 years ago - 5 comments
Labels: enhancement

#8 - create compound database package

Issue - State: closed - Opened by khoran over 10 years ago - 1 comment
Labels: enhancement

#7 - generate 3d coordinates

Issue - State: closed - Opened by khoran over 10 years ago
Labels: enhancement

#6 - morgan algorithm

Issue - State: closed - Opened by khoran over 10 years ago - 2 comments
Labels: enhancement

#5 - make inchi strings avaialble through propOB

Issue - State: closed - Opened by khoran almost 11 years ago - 2 comments
Labels: enhancement, waiting

#4 - Can we get monoisotopic (exact) mass from OB

Issue - State: closed - Opened by tgirke almost 11 years ago - 3 comments
Labels: waiting

#3 - Document SWIG usage

Issue - State: closed - Opened by khoran almost 11 years ago
Labels: enhancement

#2 - Explore options to use OB structure depictions

Issue - State: closed - Opened by khoran almost 11 years ago - 3 comments
Labels: enhancement, P1, waiting, ChemmineOB

#1 - New logo

Issue - State: closed - Opened by khoran almost 11 years ago
Labels: design