chemplot

package

v0.7.1 Latest Latest Go to latest Published: Apr 3, 2024 License: LGPL-2.1 Imports: 7 Imported by: 1

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Repository

github.com/rmera/gochem

Links

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Documentation ¶

Index ¶

Constants
func RamaPlot(data [][]float64, tag []int, title, plotname string) error
func RamaPlotParts(data [][][]float64, tag [][]int, title, plotname string) error
type Error

Constants ¶

View Source

const (
	ErrNilData          = "goChem/ChemPlot: Nil data given "
	ErrInconsistentData = "goChem/ChemPlot: Inconsistent data length "
	ErrTooManyTags      = "goChem/ChemPlot: Maximun number of tagable residues is 4"
	ErrOutOfRange       = "goChem/ChemPlot: Index requested out of range"
)

Variables ¶

This section is empty.

Functions ¶

func RamaPlot ¶

func RamaPlot(data [][]float64, tag []int, title, plotname string) error

RamaPlot Produces plots, in png format for the ramachandran data (psi and phi dihedrals) contained in data. Data points in tag (maximun 4) are highlighted in the plot. the extension must be included in plotname. Returns an error or nil*/

func RamaPlotParts ¶

func RamaPlotParts(data [][][]float64, tag [][]int, title, plotname string) error

RamaPlotParts produces plots, in png format for the ramachandran data (phi and psi dihedrals) contained in data. Data points in tag (maximun 4) are highlighted in the plot. the extension must be included in plotname. Returns an error or nil. In RamaPlotParts The data is divided in several slices, where each is represented differently in the plot

Types ¶

type Error ¶

type Error struct {
	// contains filtered or unexported fields
}

func (Error) Code ¶

func (err Error) Code() string

func (Error) Critical ¶

func (err Error) Critical() bool

func (Error) Error ¶

func (err Error) Error() string

func (Error) FunctionName ¶

func (err Error) FunctionName() string

Source Files ¶

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