Protein Structure Prediction using Parallel Artificial Bee Colony Optimization
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1 #ifndef ABC_ALG_H
2 #define ABC_ALG_H
6 #include <movchain.h>
7 #include <hpchain.h>
8 #include <config.h>
10 #include <solution/solution.h>
13 typedef struct PredResults_ {
14  double fitness;
15  int contactsH;
16  int collisions;
17  double bbGyration;
18 } PredResults;
29 Solution ABC_predict_structure(const HPElem * hpChain, int hpSize, int nCycles, PredResults *results);
31 #endif // ABC_ALG_H
Routines for manipulating Solution objects, such as creation, randomization, perturbation etc...
Routines for manipulating the configuration YML file.
int collisions
Number of collisions among beads.
Definition: abc_alg.h:16
Routines for managing chains of MovElem units.
struct PredResults_ PredResults
Structure for returning prediction results to the user.
int contactsH
Number of H contacts.
Definition: abc_alg.h:15
Routines for handling HP chains.
Solution ABC_predict_structure(const HPElem *hpChain, int hpSize, int nCycles, PredResults *results)
Given a protein in the HPElem * format, searches the 3D conformation with minimal energy...
Definition: abc_alg_parallel.c:232
Structure for returning prediction results to the user.
Definition: abc_alg.h:13
char HPElem
HPChain is how we call an array of HPElem.
Definition: hpchain.h:9
double fitness
Fitness of the predicted protein.
Definition: abc_alg.h:14
Encapsulates a solution, which is a protein conformation that is developed by a bee.
Definition: solution_structure_private.h:5
double bbGyration
Gyration radius for the backbone beads.
Definition: abc_alg.h:17