R: Read mmCIF File

read.cif {bio3d} | R Documentation

## Read mmCIF File

### Description

Read a Protein Data Bank (mmCIF) coordinate file.

### Usage

    read.cif(file, maxlines = -1, multi = FALSE,
             rm.insert = FALSE, rm.alt = TRUE, verbose = TRUE)

### Arguments

`file` | a single element character vector containing the name of the mmCIF file to be read, or the four letter PDB identifier for online file access.
`maxlines` | the maximum number of lines to read before giving up with large files. By default if will read up to the end of input on the connection.
`multi` | logical, if TRUE multiple ATOM records are read for all models in multi-model files and their coordinates returned.
`rm.insert` | logical, if TRUE PDB insert records are ignored.
`rm.alt` | logical, if TRUE PDB alternate records are ignored.
`verbose` | print details of the reading process.

### Details

The current version of `read.cif` reads only ATOM/HETATM records and creates a `pdb` object of the data.

See `read.pdb` for more info.

### Value

Returns a list of class `"pdb"` with the following components:

`atom` | a data.frame containing all atomic coordinate ATOM and HETATM data, with a row per ATOM/HETATM and a column per record type. See below for details of the record type naming convention (useful for accessing columns).
`xyz` | a numeric matrix of class `"xyz"` containing the ATOM and HETATM coordinate data.
`calpha` | logical vector with length equal to `nrow(atom)` with TRUE values indicating a C-alpha “elety”.
`call` | the matched call.

### Author(s)

Lars Skjaerven

### References

Grant, B.J. et al. (2006) Bioinformatics 22, 2695–2696.

### See Also

`read.pdb` `atom.select`, `write.pdb`, `trim.pdb`, `cat.pdb`, `read.prmtop`, `as.pdb`, `read.dcd`, `read.ncdf`,

### Examples

    ## Read a mmCIF file from the RCSB online database
    # cif <- read.cif("1hel")

[Package bio3d version 2.3-3 Index]