Be the first to post a text review of Frowns. Rate and review a project by clicking thumbs up or thumbs down in the right column.

• Code committed

  wc2so1 committed patchset 22 of module frowns to the Frowns CVS repository, changing 7 files

  posted by wc2so1 2037 days ago

• Code committed

  wc2so1 committed patchset 21 of module frowns to the Frowns CVS repository, changing 9 files

  posted by wc2so1 2083 days ago

• frowns frowns-0.9a file released: frowns-0.9a.zip

  This entry has the following fixes: 1) Chiral centers only need a total of three bonds including hydrogens This was failing on some test cases. 2) Modified the vflib setup.py to elimintate some useless windows compiler flags 3) Smiles of the form [C] and [CH0] were not being computed properly, they were padded to [CH4]. This was fixed in the sdfile reader as well. 4) The aromaticty detector was only looking at explicitly labeled pyroles "x-[NH]-x" and not ones that ended up that way to do the surroundings. There are a lot more aromatic rings now. This should fix an outstanding bug in a submitted cLogP computation. 5) TetraHedral Chirality works pretty well. It isn't read in from sd files but it will be soon (tm). 6) The up and down arrows for depictions now follow the MDL (non daylight) Format. I don't know why these are different.

  posted 2163 days ago

• frowns frowns-0.9a file released: frowns-0.9a.tar.gz

  This entry has the following fixes: 1) Chiral centers only need a total of three bonds including hydrogens This was failing on some test cases. 2) Modified the vflib setup.py to elimintate some useless windows compiler flags 3) Smiles of the form [C] and [CH0] were not being computed properly, they were padded to [CH4]. This was fixed in the sdfile reader as well. 4) The aromaticty detector was only looking at explicitly labeled pyroles "x-[NH]-x" and not ones that ended up that way to do the surroundings. There are a lot more aromatic rings now. This should fix an outstanding bug in a submitted cLogP computation. 5) TetraHedral Chirality works pretty well. It isn't read in from sd files but it will be soon (tm). 6) The up and down arrows for depictions now follow the MDL (non daylight) Format. I don't know why these are different.

  posted 2163 days ago

• File released: /frowns/frowns-0.9a/frowns-0.9a.zip

  posted 2163 days ago

• File released: /frowns/frowns-0.9a/frowns-0.9a.tar.gz

  posted 2163 days ago

• Code committed

  wc2so1 committed patchset 20 of module frowns to the Frowns CVS repository, changing 1 files

  posted by wc2so1 2163 days ago

• Code committed

  wc2so1 committed patchset 19 of module frowns to the Frowns CVS repository, changing 15 files

  posted by wc2so1 2167 days ago

• Code committed

  wc2so1 committed patchset 18 of module frowns to the Frowns CVS repository, changing 1 files

  posted by wc2so1 2167 days ago

• Code committed

  wc2so1 committed patchset 17 of module frowns to the Frowns CVS repository, changing 1 files

  posted by wc2so1 2241 days ago