The co-culture fermentation demonstrated a mixed effect on the aggregation and bundling of BC while resulting in a significant improvement in mechanical properties. Addition of pullulan at 1.5% and 2% levels could increase the BC production from 0.447 to 0.814 and 1.997 g/L, respectively. Results showed that a 1% pullulan addition improved Young’s modulus of BC pellicles for sixfold. This study examined the effect of pullulan on BC fermentation as well as the co-culturing of the BC producer with Aureobasidium pullulans, a fungal strain that produces pullulan as an exopolysaccharide. The programs installer is commonly called COG-320.exe. The most popular version among the program users is 4.0.
#CHEMDOODLE DEMO SOFTWARE#
The actual developer of the software is Pass4sure. Polysaccharide addition has been shown to improve the production and the mechanical properties of BC nanocomposites. Description Downloading Pass4sure Questions and Answers for IBM COG-320 Demo 4.0 from our website was free. Consequently, any further work may focus on them.Bacterial cellulose (BC) exhibits a unique combination of porosity, tensile strength, reticulated crystal structure and biocompatibility useful for many applications in the food, biomedical and other industries. obabel mymols.fs -ifs -s"O=S(c1ccccc1)Cc1ccccc1" results.smi -xtĪnd stored in results.smi. Now, very quickly the names of the files about a structure matching the query substructure are identified, e.g. sdf may be indexed obabel mymols.sdf -ofsīy fingerprints (cf.
Instead, it is worth to "bundle" the individual information obabel *.mol2 mymols.sdf -uniqueĬreating a container like a multi-model. Especially if the data set is accessed more than once to identify different structures, and / or consists of multiple thousand models, this may be tediously slow. The approach mentioned in the question basically calls obabel (or òpenbabel) as an iteration per file. Its SMARTS (very differently written) equally failed: Marvin JS: ChemAxon, v19.11.0, on-line test at | O=S(c1ccccc1)Cc1ccccc1 | SMILES | dito, canonical | works |ĬhemDoodle: version 8.1.0, 2019 and webcomponents,ĬhemDraw: version 12 Pro, (then) CambridgeSoft, 2009 | c1ccc(cc1)CS(=O)c1ccccc1 | SMILES | dito, Inchified | works | | c1ccc(cc1)CS(=O)c1ccccc1 | SMILES | dito, universal | works | | c1cccc(c1)CS(=O)c1ccccc1 | SMILES | openbabel, default | works | | O=S(Cc1ccccc1)c2ccccc2 | SMILES | Peter Ertl JSME | works | | O=S(CC1=CC=CC=C1)C1=CC=CC=C1 | SMILES | Marvin JS | fails | | O=S(C1=CC=CC=C1)CC2=CC=CC=C2 | SMILES | ChemDraw Pro12 | fails | | O=S(Cc1ccccc1)c2ccccc2 | SMILES | ACD ChemSketch | works | | C1=CC=CC=C1C(C2=CC=CC=C2)=O | SMILES | pubChemSketcher | fails | | c1ccccc1-(-c2ccccc2)= | SMARTS | pubChemSketcher | works | mol2 with openbabel sometimes failed.īelow I summarize (status: 2019-May-15) a few experiences: the string offered by the software, its type, and source eventually, if it worked (i.e., entries retrieved), or not (i.e., entries not retrieved) in a small test set of 419 model data and 7 relevant hits. Consequently, recognizing the relevant entries in the collection of. Consequently, the strings per se sometimes differ from each other. There is more than one way to describe it in either form of a SMARTS, or a SMILES string. In case you don't have one, often a good SMILES string may be used instead of a SMARTS string, too."Ī check for a rather simple molecular structure of (benzylsulfinyl)benzene "A substructure querying with openbabel requires a good SMARTS string. The thread indicated in the comment by dates back to July 2014.
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