girke-lab ChemmineOB issues

girke-lab / ChemmineOB

OpenBabel wrapper package for R

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issues

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Does not build with Clang: `error: no template named 'binary_function' in namespace 'std'; did you mean '__binary_function'?` (no error with GCC)

#40 barracuda156 closed 2 months ago
1
Possible RAM leakage in fingerprint calculations using fingerprint_OB() function

#39 tcaceresm opened 3 months ago
0
R install failing with fatal error: 'openbabel/obutil.h' file not found

#38 CLUES-Emory opened 3 months ago
1
InChI not generated on windows version

#37 Aariq closed 3 months ago
3
Update OpenBabel version bundled with windows?

#36 Aariq opened 3 months ago
1
ChemmineOB not compiling from Bioconductor in Mac 13.5.2

#35 deb-m opened 4 months ago
8
Build error: `Symbol not found: __ZN9OpenBabel8OBPlugin7DisplayERSsPKcS3_`

#34 barracuda156 closed 8 months ago
4
r-universe build failing on vignette

#33 Aariq closed 8 months ago
3
Different binary fingerprints obtained from ChemmineOB and OBabel cli

#32 tcaceresm closed 10 months ago
2
segfault on Ubuntu due to clashing symbols with `grDevices::rgb()`

#31 Aariq closed 1 year ago
9
Fix the syntax for passing configure arguments

#30 martin-g opened 1 year ago
0
fatal error in convertFormat (SDF to SMI)

#29 ethanbass closed 1 year ago
1
Loading failure when installing

#28 AmiyaKirizi closed 1 year ago
7
fingerprintOB fails with MACCS

#27 eerisman closed 1 year ago
4
ChemmineOB installation failed

#26 AgnieszkaGajewicz closed 2 years ago
1
ChemmineOB install trouble

#25 kenlo1 closed 3 years ago
8
Install problems

#24 lizzydizzy42 closed 4 years ago
2
Failed to install ChemmineOB package

#23 QizhiSu closed 2 years ago
14
convertFormat error

#22 QizhiSu closed 4 years ago
29
Hardwired dependency on openbabel v2

#21 eddelbuettel closed 3 years ago
2
regenerateCoords fails in ChemmineR vignette

#20 jarrodscott closed 3 years ago
2
Library not loaded: libopenbabel.5.dylib

#19 ktbaek closed 3 years ago
3
How to convert structure from inchi to smiles using ChemmineOB

#18 JustinZZW closed 4 years ago
2
Trouble Installing ChemmineOB on RHEL

#17 osker130 closed 3 years ago
1
Segmentation Faults

#16 reventropy closed 3 years ago
1
BiocView Metabolomics instead of (or addition to) Proteomics ?

#15 sneumann closed 5 years ago
1
Error Installing ChemmineOB on Ubuntu 18.04 within RStudio

#14 anusurendra closed 3 years ago
2
Error: package or namespace load failed for ‘ChemmineOB’

#13 denzilc closed 3 years ago
0
Avoid formatting output

#12 sneumann closed 1 year ago
1
Cannot install ChemmineOB

#11 joannazbijewska closed 7 years ago
1
add substructure search

#10 khoran closed 9 years ago
1
make inchi strings available on windows

#9 khoran closed 7 years ago
5
create compound database package

#8 khoran closed 9 years ago
1
generate 3d coordinates

#7 khoran closed 10 years ago
0
morgan algorithm

#6 khoran closed 10 years ago
2
make inchi strings avaialble through propOB

#5 khoran closed 10 years ago
2
Can we get monoisotopic (exact) mass from OB

#4 tgirke closed 10 years ago
3
Document SWIG usage

#3 khoran closed 10 years ago
0
Explore options to use OB structure depictions

#2 khoran closed 7 years ago
3
New logo

#1 khoran closed 10 years ago
0