User Activity

  • Committed [1bad4f]

    adapt to promise api

  • Posted a comment on discussion Help and Feedback on smina

    If there is no smina binary, then it did not successfully compile. Perhaps look more carefully for an error message?

  • Posted a comment on discussion Help and Feedback on smina

    It should be in the build directory with the makefile, e.g. smina/build/linux/release

  • Posted a comment on discussion Help and Feedback on smina

    Looking at the source on github (https://github.com/openbabel/openbabel/blob/master/include/openbabel/plugin.h) those are all lines that should be commented out (there should be more than one slash).

  • Posted a comment on discussion Help and Feedback on smina

    Seems like a cygwin specific problem. I found this by googling "strcasecomp cygwin": https://stackoverflow.com/questions/7248509/strcasecmp-was-not-declared-in-this-scope?rq=1

  • Posted a comment on discussion Help and Feedback on smina

    You need to specify the include path to the openbabel install with -I. Not sure that will be enough to compile under cygwin though - never tried it.

  • Committed [e1a80d]

    improve some messages

  • Committed [0272db]

    more robust pml parsing

View All

Personal Data

Username:
dkoes
Joined:
2007-08-07 15:20:40

Projects

  • Project Logo Pharmer   Last Updated:
  • Project Logo PyBrella Python script to automate umbrella sampling with AMBER Last Updated:
  • Project Logo pharmit Open-source online virtual screening tools for large databases Last Updated:
  • Project Logo sdsorter Easy manipulation of sdf molecular data files. Last Updated:
  • Project Logo smina Scoring and Minimization with AutoDock Vina Last Updated:

Skills

  • No skills entered.

Personal Tools