IMP
2.0.1
The Integrative Modeling Platform
|
See IMP.saxs Overview for more information.
Classes | |
class | DeltaDistributionFunction |
class | Distribution |
class | FormFactorTable |
class | Profile |
class | RadialDistributionFunction |
class | RadiusOfGyrationRestraint |
Calculate score based on radius of gyration, taken from saxs profile. More... | |
class | Restraint |
Calculate score based on fit to SAXS profile. More... | |
class | SolventAccessibleSurface |
Enumerations | |
enum | FormFactorType { ALL_ATOMS, HEAVY_ATOMS, CA_ATOMS } |
type of the form factors for profile calculations | |
Functions | |
Float | compute_max_distance (const Particles &particles) |
compute max distance | |
Float | compute_max_distance (const Particles &particles1, const Particles &particles2) |
FormFactorTable * | default_form_factor_table () |
void | get_coordinates (const Particles &particles, std::vector< algebra::Vector3D > &coordinates) |
std::string | get_data_path (std::string file_name) |
Return the full path to installed data. More... | |
std::string | get_example_path (std::string file_name) |
Return the path to installed example data for this module. More... | |
void | get_form_factors (const Particles &particles, FormFactorTable *ff_table, Floats &form_factors, FormFactorType ff_type) |
Float | radius_of_gyration (const Particles &particles) |
compute radius_of_gyration | |
Float IMP::saxs::compute_max_distance | ( | const Particles & | particles1, |
const Particles & | particles2 | ||
) |
compute max distance between pairs of particles one from particles1 and the other from particles2
Definition at line 53 of file saxs/utility.h.
std::string IMP::saxs::get_data_path | ( | std::string | file_name | ) |
Each module has its own data directory, so be sure to use the version of this function in the correct module. To read the data file "data_library" that was placed in the data
directory of module "mymodule", do something like
This will ensure that the code works when IMP
is installed or used via the tools/imppy.sh
script.
std::string IMP::saxs::get_example_path | ( | std::string | file_name | ) |
Each module has its own example directory, so be sure to use the version of this function in the correct module. For example to read the file example_protein.pdb
located in the examples
directory of the IMP::atom module, do
This will ensure that the code works when IMP
is installed or used via the tools/imppy.sh
script.