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vanddraabe (version 1.1.1)

oxPDBcleanedSummarySheet: Cleaned PDB Structures Data Sheet

Description

Constructs the openxlsx worksheet for the CleanProteinStructures() results.

Usage

oxPDBcleanedSummarySheet(wb.name, sheet.name = "PDBcleanedSummary", df)

Arguments

wb.name

Name of the workbook for the results; e.g., results.wb

sheet.name

Name of the worksheet being formatted; default: "PDBcleanedSummary"

df

data.frame containing the summary of CleanProteinStructures(); e.g., df.results

Value

The workbook containing the indicated and newly formatted worksheet.

Details

This function is to ONLY be used with the results of CleanProteinStructures(). Specific aspects of how the returned data.frame will be formatted are hard-coded into this function.

Notable formatting:

  • Top row frozen

  • Column widths are set based on column content

  • Structures with hydrogen atoms removed are highlighted with amber cell color

  • Structures with OoR values, modeled atoms, and removed waters are highlighted with amber cell color

This openxlsx function is NOT exported.

See Also

Other "openxlsx functions": openxlsxCellStyles, oxAlignOverlapSheet, oxClusterStatsSheet, oxClusterSummarySheet, oxInitWaterDataSheet, oxPlainDataSheet, oxRCSBinfoSheet, oxWaterOccurrenceSheet