MATLAB_Python_Convert_SMILES_to_Graph.mlx Add files via upload Aug 2, 2023 MolToPDBBlock.py Add files via upload Aug 2, 2023 NodeFeaturesMatrix.dat Add files via upload Aug 2, 2023 README.md Add files via upload Aug 2, 2023 SECURITY.md ...
cif2cif copies a CIF to a CIF while checking data names against dictionaries and reformating numbers with esd's to conform to the rule of 19. A request list may be specified. cif2xml is a variant of cif2cif which produces XML output. cif2pdb converts mmCIF files to a PDB or WPDB ...
To provide structural insights into the enzymatic properties of hEXOG, we first determined a crystal structure of hEXOG in its apo form at 1.81 Å resolution by molecular replacement using Drosophila EndoG (PDB code: 3ISM) as a search model22. The C-terminal extension (residues 300–369...
functionmain(workbook:ExcelScript.Workbook,base64ImageString1:string,base64ImageString2:string){constsheet=workbook.getWorksheet("Output");constsheetB=workbook.getWorksheet("Responses");constbase641=sheetB.getRange("G2").getText();constbase642=sheetB.getRange("I2").getText();co...
Access to efficient enzymes that can convert A and B type red blood cells to ‘universal’ donor O would greatly increase the supply of blood for transfusions. Here we report the functional metagenomic screening of the human gut microbiome for enzymes th
Comparison between the co-crystal structures of SRPK1ΔNS-Alectinib and ALK-Alectinib (PDB: 3AOX) revealed that Alectinib adopts a similar orientation and binding mode in the ATP-binding pockets of both kinases (Figure 2B). The nearly planar benzo[b]carbazole moiety of Alectinib lies close to...
I've then modified my script to create a string variable, using getRange.getText() and then I'm passing that variable into the addImage() function functionmain(workbook:ExcelScript.Workbook,base64ImageString1:string,base64ImageString2:string){constsheet=workbook.getWo...
nr protein database, which covers non-redundant GenBank CDS translations, RefSeq, PDB, SwissProt, PIR, PRF, excluding those in PAT, TSA, and env_nr (http://www.ncbi.nlm.nih. gov/), was performed to find homologs reported to have β -etherase or β -thioetherase activity20,23,24...
Convert and replace image-files within your DOM/HTML to base64-encoded data. Example gulpfile.js vargulp=require('gulp');varimg64=require('gulp-img64');gulp.task('default',function(){gulp.src('index.html').pipe(img64()).pipe(gulp.dest('path'));}); ...
{ "source": "./examples/sample_molecules.smi", "separate_output_files": true, "job_manager": "multiprocessing", "output_folder": "/my/folder/", "add_pdb_output": true, "add_html_output": true, "num_processors": -1 } Important Caveats Large Molecules Gypsum-DL is designed to proces...