False should be capitalized in python: supplier = SDMolSupplier(filename, removeHs=False)
And their == there of course :) Sometime I type faster than I think. On Thu, Sep 8, 2016 at 3:26 PM, Brian Kelley <fustiga...@gmail.com> wrote: > Dimitri, Hs are removed. > > Their is a removeHs argument in MolFromMolBlock (python) that defaults to > true. > > There is a corollary in SDMolSupplier if you are using that. > > supplier = SDMolSupplier(filename, removeHs=false) > > if this helps. > > On Thu, Sep 8, 2016 at 2:46 PM, Dimitri Maziuk <dmaz...@bmrb.wisc.edu> > wrote: > >> On 09/08/2016 10:25 AM, Greg Landrum wrote: >> ... >> > Why do you want 2D drawings that include H atoms? >> >> On the subject of H atoms: when I read in the MOL file that has them, I >> need to explicitly call AddHs() in order to have them drawn. >> >> Question: do they actually get stripped off by the reader and re-added >> by AddHs()? Or are they there "hidden" somehow and AddHs() just >> "unhides" them? >> >> TIA >> -- >> Dimitri Maziuk >> Programmer/sysadmin >> BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu >> >> >> ------------------------------------------------------------ >> ------------------ >> >> _______________________________________________ >> Rdkit-discuss mailing list >> Rdkit-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> >> >
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