Marvin Beans

Other products on the market include Daylight Depict Toolkit, Accelrys Discovery Studio ViewerPro, and Chem Axon Marvin Bean. 

Marvin Beans—http //www.chemaxon.com/marvin/download.html... 

Calculator plug-in in Marvin Beans from ChemAxon is used for ealeulating a number of descriptors and is available via an aeademie request [38], It ean be accessed from Marvin Sketch and Marvin view modules. For effieieney, it is advisable to run it using cxcalc command in batch mode from eommand prompt. A number of diverse descriptors can be eomputed in a short time. 

We can also compute 3D descriptors using the cxcalc option. Draw a structure of aspirin molecule (acetyl salicylic acid) in Marvin Sketch and save it as. smi in the Marvin Beans folder. In the command window, type cxcalc stereoisomers -v true aspirin.mol to generate the stereoisomer of the molecule. Similarly, the command cxcalc lowestenergyconformer -f mrv test aspuin.mol calculates the lowest energy conformer of aspirin (Fig. 2.5). 

Fig. 2.4 Atomic polarizabilities for 100 molecules using the cxcalc program in Marvin Beans...

Marvin D. Walker, Teresa Bean, and June M. Whaun... 

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