Computational protocol: N-[(1,3-Benzodioxol-5-yl)meth­yl]-4-methyl­benzamide: an analogue of capsaicin

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Protocol publication

[…] Data collection: COLLECT (Nonius, 1999); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO (Otwinowski & Minor, 1997) and SCALEPACK; program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012); software used to prepare material for publication: Marvinsketch (Chemaxon, 2010) and publCIF (Westrip, 2010). […]

Pipeline specifications

Software tools SHELX, Marvin
Applications Drug design, Protein structure analysis
Organisms Axis axis
Chemicals Benzene, Capsaicin, Guaiacol