David Koes committed [77e33d]

Build with gcc11

sdsorter updated /sdsorter.static

Greg Durst posted a comment on discussion General Discussion

Hello, I just watched your YouTube video "Structure-Based Virtual Screening on the Cheap" and wanted to try the sdsorter program you mentioned, however on my linux box sdsorter.static gives the same error as the above message from Laura MC above, ie. sdsorter.static: loadlocale.c:129: _nl_intern_locale_data: Assertion cnt < (sizeof (_nl_value_type_LC_TIME) / sizeof (_nl_value_type_LC_TIME[0])) failed. Aborted (core dumped) Can you take a look? Thanks, Greg

sdsorter updated /sdsorter.osx

Laura MC posted a comment on discussion General Discussion

Hello, I am a user of smina trying to install sdsorter in linux. I have tried both sdsorter.static and sdsorter.linux and neither of them work. The problem with sdsorter.static is the following: sdsorter.static: loadlocale.c:129: _nl_intern_locale_data: Assertion `cnt < (sizeof (_nl_value_type_LC_TIME) / sizeof (_nl_value_type_LC_TIME[0]))' failed. Aborted In the case of sdsorter.linux the problem is the access to an old library: error while loading shared libraries: libboost_system.so.1.54.0: cannot...

David Koes committed [69dce4]

Fix off by one with extractRange

David Koes committed [b6db46]

rm oesdsorter, openbabel3

David Koes committed [51311c]

compilation fixes for openbabel/newer gcc

David Koes committed [6dcfde]

make backwards compat with prev openbabel

David Koes committed [abe6ed]

Merge branch 'master' of ssh://git.code.sf.net/p/sdsorter/code

David Koes committed [998316]

mupltiple extract-match support

David Koes committed [2a9def]

Merge branch 'master' of ssh://git.code.sf.net/p/sdsorter/code

David Koes committed [4629b3]

make compat with openbabel 3

Sirish Lakkaraju posted a comment on discussion General Discussion

When tags such as vendor id have string information, -addToTitle will return a 0. To avoid this, modify getData to return a string instead of a double: static string getData(SDMol& mol, const string& tag) if (!mol.HasSDData(tag)) return ""; stringstream str(mol.GetSDData(tag)); return str.str(); Then change createCombined (and other routines that call getData) to receive string values for tags instead of double: rmsd = atof(getData(mol, "RMSD").c_str()); mw = atof(getData(mol, "molecular weight").c_str());...

sdsorter released /sdsorter.osx

David Koes committed [d5ff1b]

some improvements

David Koes committed [9ca17e]

Merge branch 'master' of ssh://git.code.sf.net/...

David Koes committed [a65091]

update readme and hide -c

sdsorter released /sdsorter.static

David Koes committed [ceb9ac]

add extractRange, better static building

David Koes committed [7116bc]

make easier to compile on OS X

David Koes committed [b06ea3]

workaround an openbabel bug, fixup makefile

David Koes committed [5bfd00]

remove non-columnized output

David Koes committed [b310e1]

cleaner floating point output

David Koes committed [54a586]

replacetitle with strings

David Koes committed [2da327]

replaceTitle feature

David Koes committed [2f58f6]

gpl statement

sdsorter released /sdsorter.linux

sdsorter released /README

David Koes committed [f44834]

makefile edits for semi static binary

David Koes committed [d59240]

readme

David Koes committed [3a7dfd]

Initial commit