Does anybody know of a tool that can convert Sybyl Line Notation queries to SMARTS queries? (Obviously Sybyl can, but I was looking for other tools)s

The Blue Obelisk page about "Open Standards" says that MDL and SMILES are "proprietary format[s]" and "not Open as there is no community process for its development; it can, in pri …

The SDF format is typically used to store 3D and 2D data for molecules. However, this question relates to its use to store 0D (or connection table) information. The development ve …

Hi, do you know some open source software (better if this is not a server) for RNA or DNA structure prediction even if this is not equilibrium optimized or so for sequences rangin …

Hello, may I as for an advice about google closure graphics? I intend to build a graphical tool to draw NMR pulse sequences and convert them into Varian and Bruker code that runs …

Hi, which open source tools can be used for the calculation of hydrodynamic properties from protein PDB files? I know hydropro but have no access to the code. Thanks

Hi, I was looking in the wiki how to convert the following information about beads, cartesian coordinates + energy : 23.4 54.6 12.3 -123.5 54.5 23.1 9.45 -56.7 ....... to a draw …

Hi, from the extense list of Quantum and Molecular Dynamics packages, which ones can be easily "interconnected" to a cluster which works with the queueing systems PBS and Sun Grid …

SMILES and OpenSMILES have a sp2 concept related to the user of lower case element symbols for the organic subset; they are aimed at aromaticity annotation. Now, last week I had an …

Where is the Blue Obelisk dinner at the ACS meeting next week? Who should be contacted? Will there be other Blue Obelisk meetings during the week? (I will not be present myself, bu …

I noted today that about half of the Swedish visitors is from the Uppsala-Stockholm area. Now, I am sure I am half of the Uppsala hits, but the bigger part is from Stockholm. Is th …