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4

You saw my last answer of your question? you can do that easily, just use prepare_ligand4.py -l my.mol2 -A "hydrogens"


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You can use Autodock Vina. It provides an option to calculate local score only. displaying the individual contributions to the intermolecular score, before weighting (these are shown with "--score_only") Autodock is better tool in speed and accuracy than Autodock itself. For using it, you need : 1) Protein.pdbqt 2) Ligand.pdbqt 3) Config.txt (the ...


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It does sound like you have a lot of data. I would first try Robert Edgar's other newer tool UPARSE which is faster and can handle more data using the free 32-bit version. I think you'll mainly be limited by machine memory though, right? Did you try CD-Hit?


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Okay, I finally figured it out. Basically there are those following 6 steps: Preparing a protein Preparing a ligand Generating a grid parameter file Generating maps and grid data files Generating a docking parameter file Running AutoDock Since the details are a little bit too lengthy for this post, I have written it up as a tutorial. A lot of people ...


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Your problem will finally boil down to searching your sequence in the Blast databases. Performing Blast seems to be probably the best way to find out if your bacteria has that specific protein expressed or not. If you could not find it in the nearest species using Blast, then try running PSI-BLAST, which would return you distant homologs, by which you can ...


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for biomart goto below link http://central.biomart.org/converter/#!/ID_converter/gene_ensembl_config_2 Also there is one more converter which i found pretty useful http://biodbnet.abcc.ncifcrf.gov/db/db2db.php#biodb


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Have a look at these ChIP-seq data for HP1 in Drosophila: 1, 2 and 3. From ChIP-seq data you can find the distance between the TFBS peaks and the TSS of the gene. You can also look for nucleosome positioning and DNAse hypersensitvity regions; for the former, I am sure that data is available for Drosophila.


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If you're working with BioCyc pathways you can use their REST-API for batch-downloading all genes for their pathways. You can run a wide range of queries including BioVelo-queries for all genes/compounds in a specified pathway, all pathways in organism etc. A query for all the pathways in B. subtilis would look like: ...



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