Dear Greg, Evgueni,
Thank you.
I can complete installation of RDKit library on Visual Studio 2008.
I really appreciate your kind advices.
And.. I have some question about handling a sdf file.
std::string fname = "./test.sdf";
std::string molName;
SDMolSupplier ligMolSuppl(fname);
ROMol *ligMol = ligMolSuppl.next();
like this code, reading sdf file is simple.
And then how I can access x,y,z coordinate informations of each atom in this
ligMol object?
I think there is no access method of coordinates in Atom class.
Jongyoung,
--
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Jong Young Joung
Ph.D candidate
@Computational Systems Biology Lab.
Cheminformatics and Computational Chemistry
B408, 2nd Engineering Building, Department of Biotechnology, Yonsei Univ.
262 Seongsanno, Seodaemun-Gu, Seoul, 120-749, Republic of Korea
Tel : 82-2-393-9520
C.P.: 010-9902-6609
lis...@yonsei.ac.kr
fisherman...@gmail.com
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