[Open Babel] Reading large coordinate files in C++ using Babel

2018-02-13 Thread Sébastien Le Roux
e for your lights on the matter. Best regards. Sébastien Le Roux -- int read_this_file_using_babel (char * this_format, char * this_file) {   OBConversion

Re: [Open Babel] Reading large coordinate files in C++ using Babel

2018-02-15 Thread Sébastien Le Roux
ity ! And thank you to the Openbabel community for this great tool ! Best regards Sébastien ======= Dr. Sébastien Le Roux Ingénieur de Recherche CNRS Institut de Physique et Chimie des Matériaux de Strasbourg Département des Matériaux Organ

[Open Babel] Buidling OpenBabel devel. lib for windows / msys / mingw64

2018-02-21 Thread Sébastien Le Roux
xec" and "regfree" (I checked), is there anyway to require _not to build_ the gamessukformat ? Any other option to build the devel lib/files for windows ? Thanks in advance for you help. Sébastien -- === Dr. Sébastien Le R

Re: [Open Babel] Buidling OpenBabel devel. lib for windows / msys / mingw64

2018-02-22 Thread Sébastien Le Roux
AFAIK, this is an optional component and so gamessukformat will be skipped (I think). Otherwise, let us know. - Noel Dear Noel, thanks for your answer, it works ! Best regards. Sébastien -- === Dr. Sébastien Le Roux Ingénieur de

[Open Babel] Using OpenBabel devel. lib for windows / msys / mingw64

2018-02-22 Thread Sébastien Le Roux
OBUnitCell *)mol.GetData(OBGenericDataType::UnitCell);   if (strcmp(this_format, "cif")  == 0) uc -> FillUnitCell (&mol); } ------- -- ===

Re: [Open Babel] Using OpenBabel devel. lib for windows / msys / mingw64

2018-03-13 Thread Sébastien Le Roux
e" command. The installation script does not erase the cmake commands, that is actually named "cmake.exe" but when the "msys/mingw64" system is looking for the command it cannot find it anymore because of the folder named "cmake". If you rename the folder