Index

Symbols

--maxcycles CIFellipsoid command line option --noplot CIFellipsoid command line option --procs CIFellipsoid command line option --writelog CIFellipsoid command line option -b, --phase CIFellipsoid command line option -l, --ligandtypes CIFellipsoid command line option -m, --metal CIFellipsoid command line option -N CIFellipsoid command line option

-n, --ligandnames CIFellipsoid command line option -o, --output CIFellipsoid command line option -P, --PrintLabels CIFellipsoid command line option -r, --radius CIFellipsoid command line option -t, --tolerance CIFellipsoid command line option -U, --Unthreaded CIFellipsoid command line option -V, --version CIFellipsoid command line option -W, --overwriteall CIFellipsoid command line option

A

allbondlens() (pieface.polyhedron.Polyhedron method) alldelabc() (pieface.polyhedron.Polyhedron method)

alldelxyz() (pieface.polyhedron.Polyhedron method) allxyz() (pieface.polyhedron.Polyhedron method) averagebondlen() (pieface.polyhedron.Polyhedron method)

B

bondlensig() (pieface.polyhedron.Polyhedron method)

bondlenvar() (pieface.polyhedron.Polyhedron method)

C

calcfromcif() (in module pieface.calcellipsoid) centreaxes() (pieface.ellipsoid.Ellipsoid method) centredisp() (pieface.ellipsoid.Ellipsoid method) cenxyz() (pieface.polyhedron.Polyhedron method) check_centres() (in module pieface.multiCIF) check_labels() (in module pieface.multiCIF) check_ligands() (in module pieface.multiCIF) CIF CIFellipsoid command line option --maxcycles --noplot --procs --writelog -N -P, --PrintLabels -U, --Unthreaded -V, --version -W, --overwriteall -b, --phase -l, --ligandtypes -m, --metal -n, --ligandnames -o, --output -r, --radius -t, --tolerance cifs

cifs CIFellipsoid command line option citation clearlast() (pieface.plotellipsoid.EllipsoidImage method) Crystal (class in pieface.readcoords)

E

ellipsoid Ellipsoid (class in pieface.ellipsoid)

EllipsoidImage (class in pieface.plotellipsoid) ellipsvol() (pieface.ellipsoid.Ellipsoid method) emit() (pieface.multiCIF.QueueHandler method)

F

findellipsoid() (pieface.ellipsoid.Ellipsoid method)

findligands() (in module pieface.readcoords)

G

getminvol() (pieface.ellipsoid.Ellipsoid method)

GUI

K

KeyboardInterruptError

L

ligdelabc() (pieface.polyhedron.Polyhedron method) ligdelxyz() (pieface.polyhedron.Polyhedron method) ligxyz() (pieface.polyhedron.Polyhedron method)

listener_configurer() (in module pieface.multiCIF) listener_empty_config() (in module pieface.multiCIF) listener_process() (in module pieface.multiCIF)

M

main() (in module pieface.multiCIF) makeellipsoid() (pieface.polyhedron.Polyhedron method) makeP1cell() (in module pieface.readcoords)

makepolyhedron() (pieface.readcoords.Crystal method) MBE meanrad() (pieface.ellipsoid.Ellipsoid method) mtensor() (pieface.readcoords.Crystal method)

N

numpoints() (pieface.ellipsoid.Ellipsoid method)

O

orthomatrix() (pieface.readcoords.Crystal method)

P

pieface.ellipsoid (module) pieface.multiCIF (module) pieface.polyhedron (module) pieface.writeproperties (module) plot() (pieface.ellipsoid.Ellipsoid method)

plotell() (pieface.plotellipsoid.EllipsoidImage method) plotsummary() (pieface.ellipsoid.Ellipsoid method) pointcolours() (pieface.polyhedron.Polyhedron method) points (pieface.ellipsoid.Ellipsoid attribute) Polyhedron (class in pieface.polyhedron)

Q

QueueHandler (class in pieface.multiCIF)

R

raderr() (pieface.ellipsoid.Ellipsoid method) radvar() (pieface.ellipsoid.Ellipsoid method)

readcif() (in module pieface.readcoords) run_parallel() (in module pieface.multiCIF)

S

shapeparam() (pieface.ellipsoid.Ellipsoid method) shapeparam_old() (pieface.ellipsoid.Ellipsoid method)

sphererad() (pieface.ellipsoid.Ellipsoid method) strainenergy() (pieface.ellipsoid.Ellipsoid method)

U

uniquerad() (pieface.ellipsoid.Ellipsoid method)

W

worker_configure() (in module pieface.multiCIF)

writeall() (in module pieface.writeproperties)