NanoShaper
0.7.2
NanoShaper is a tool able to triangulate and inspect an arbitray triangulated surface or several types of molecular surfaces
|
A (defined in DelPhiShared) | DelPhiShared | |
atoms (defined in DelPhiShared) | DelPhiShared | |
atsurf (defined in DelPhiShared) | DelPhiShared | |
baricenter (defined in DelPhiShared) | DelPhiShared | |
buildEpsmap(bool a) (defined in DelPhiShared) | DelPhiShared | [inline] |
buildEpsMap (defined in DelPhiShared) | DelPhiShared | |
buildGrid(double scale, double perfill) | DelPhiShared | |
buildStatus (defined in DelPhiShared) | DelPhiShared | |
buildStatusmap(bool a) (defined in DelPhiShared) | DelPhiShared | [inline] |
cav2atoms | DelPhiShared | |
cavitiesFlag | DelPhiShared | |
cavitiesSize | DelPhiShared | |
cavitiesToAtoms(double rad) | DelPhiShared | |
cavitiesVec | DelPhiShared | |
clear() | DelPhiShared | |
clearAndAllocEpsMaps() (defined in DelPhiShared) | DelPhiShared | |
clearCav2Atoms() | DelPhiShared | |
clearEpsMaps() (defined in DelPhiShared) | DelPhiShared | |
delphiBinding (defined in DelPhiShared) | DelPhiShared | |
DelPhiBinding(double xmin, double ymin, double zmin, double xmax, double ymax, double zmax, double c1, double c2, double c3, double rmax, double perf, int *local_i_epsmap, int igrid, double scale, double *local_i_scspos, double *local_i_scsnor, bool *local_i_idebmap, int *local_i_ibgp, int maxbgp, bool status, int *atsurf) | DelPhiShared | |
DelPhiShared() | DelPhiShared | |
DelPhiShared(double scale, double perfill, string fn, bool map, bool status, bool multi, bool atinfo=false) | DelPhiShared | |
epsmap (defined in DelPhiShared) | DelPhiShared | |
file (defined in DelPhiShared) | DelPhiShared | |
finalizeBinding(int *ibnum) | DelPhiShared | |
getDelphiBinding() (defined in DelPhiShared) | DelPhiShared | [inline] |
getMultiDiel() (defined in DelPhiShared) | DelPhiShared | [inline] |
getNumAtoms() (defined in DelPhiShared) | DelPhiShared | [inline] |
hside (defined in DelPhiShared) | DelPhiShared | |
ibgp (defined in DelPhiShared) | DelPhiShared | |
idebmap (defined in DelPhiShared) | DelPhiShared | |
init() | DelPhiShared | |
init(double scale, double perfill, string fn, bool eps_flag, bool stat_flag, bool multi, bool atinfo) | DelPhiShared | |
initCav2Atoms() | DelPhiShared | |
isAvailableAtomInfo (defined in DelPhiShared) | DelPhiShared | |
loadAtoms(string fn) (defined in DelPhiShared) | DelPhiShared | |
loadAtoms(int na, double *pos, double *r, double *q, int *d, char *atinf) (defined in DelPhiShared) | DelPhiShared | |
markPockets(short *status, vector< bool > &isPocket) | DelPhiShared | |
maxbgp (defined in DelPhiShared) | DelPhiShared | |
multi_diel (defined in DelPhiShared) | DelPhiShared | |
nbgp (defined in DelPhiShared) | DelPhiShared | |
numAtoms (defined in DelPhiShared) | DelPhiShared | |
nx (defined in DelPhiShared) | DelPhiShared | |
ny (defined in DelPhiShared) | DelPhiShared | |
nz (defined in DelPhiShared) | DelPhiShared | |
parseAtomInfo(char *atinfo, string mol, int na, double *xn1, double *rad) | DelPhiShared | [static] |
perfill (defined in DelPhiShared) | DelPhiShared | |
rmaxdim (defined in DelPhiShared) | DelPhiShared | |
saveBGP(char *fname) | DelPhiShared | |
saveCavities(bool onlySaveNonFilled=false) | DelPhiShared | |
saveCavities2(bool onlySaveNonFilled, string sysName) | DelPhiShared | |
saveEpsMaps(char *fname) | DelPhiShared | |
saveIdebMap(char *fname) | DelPhiShared | |
saveStatus(char *fname) | DelPhiShared | |
scale (defined in DelPhiShared) | DelPhiShared | |
scsarea (defined in DelPhiShared) | DelPhiShared | |
scsnor (defined in DelPhiShared) | DelPhiShared | |
scspos (defined in DelPhiShared) | DelPhiShared | |
side (defined in DelPhiShared) | DelPhiShared | |
status (defined in DelPhiShared) | DelPhiShared | |
tempStatus (defined in DelPhiShared) | DelPhiShared | |
x (defined in DelPhiShared) | DelPhiShared | |
xmax (defined in DelPhiShared) | DelPhiShared | |
xmin (defined in DelPhiShared) | DelPhiShared | |
y (defined in DelPhiShared) | DelPhiShared | |
ymax (defined in DelPhiShared) | DelPhiShared | |
ymin (defined in DelPhiShared) | DelPhiShared | |
z (defined in DelPhiShared) | DelPhiShared | |
zmax (defined in DelPhiShared) | DelPhiShared | |
zmin (defined in DelPhiShared) | DelPhiShared | |
~DelPhiShared() (defined in DelPhiShared) | DelPhiShared | [virtual] |