Sentence examples for draw structure from inspiring English sources

The JME (Java Molecular Editor) [11] written by Peter Ertl of Novartis is used to draw structure queries and to convert them into SMILES strings.

In this web server, there are three options for molecule submission, 1) Draw structure using JME editor (http://www.molinspiration.com/jme/), 2) By pasting molecule in mol/mol2 file format, 3) By file upload.

A new plot window was open to draw structure of the extracts, optimize 3 D geometric structures, and apply CHARMm force field to ensure correct bond length, bond angle in a state of energy stability.

In order to draw structures to be searched, a simple Java based applet - Java Molecular Editor (JME) (http://www.molinspiration.com/jme/) has been incorporated.

To display the structure in SharePoint, we have used Accelrys Pipeline Pilot to get the related image for the drawn structure.

If the chemical structure should be in the UCD, chemists must complete a form with the drawing structure.

From the evidence, it is concluded that uncertainty is the primary factor triggering change in drawing structure.

The use of aromatic directives is particularly useful in a situation where one wishes to compare two versions of a drawn structure.

Chemical structures are represented in so many formats (smiles, IUPAC names, InChi, molstring, CML, common names), it is challenging for any chemical search engine to find all the results related to a drawn structure.

VARNA users can modify an automatically drawn structure using basic interactions.

Furthermore, the GlycanBuilder is embedded into the GlycoWorkbench software (Ceroni et al. 2008) as a component for drawing structure candidates in the process of annotating MS spectra (see the Software tools section below).