From: E.L. W. <e.w...@sc...> - 2004-12-15 15:13:05
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=2D----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On Monday 13 December 2004 13:36, Matteo Floris wrote: > > What services would people like? > > Our own list includes but is not limited to: > > - calculate 2D coords for connection table > > - calculate 3D coords for molecule > > - MM, MD, MO calculations > > - calculate descriptors for molecule > > - calculate properties for molecules > > - legacy conversions > > - search databases > > - create SVG diagrams for molecules and reactions > > - create PNGs Peter, the system you describe, is that using SOAP? So that it could integr= ate=20 with SciTegic's PipeLine Pilot, which can use SOAP services as nodes in the= =20 pipeline? At the CIC Workshop I met Asutosh Yagnik of SciTegic and talked with him a = bit=20 on their software, and talked about integrating CDK functionality with=20 PipeLine pilot... And it was reasonably straightforward to integrate SOAP=20 services... Egon =2D --=20 e.w...@sc... PhD-student on Molecular Representation in Chemometrics Radboud University Nijmegen http://www.cac.science.ru.nl/people/egonw/ GPG: 1024D/D6336BA6 =2D----BEGIN PGP SIGNATURE----- Version: GnuPG v1.0.7 (SunOS) iD8DBQFBwFRbd9R8I9Yza6YRApFvAKCcOzK+9n5xiT2cPCAtvB9WqrEzZQCfYI73 D1dZx7wtYnfNiMfRltni0us=3D =3DXDrF =2D----END PGP SIGNATURE----- |