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zigeuner / knowlege-based_protein-protein_interface_design

knowledge-based protein-protein interface design code see Clark and van Vlijmen Proteins. 2008 Mar;70(4):1540-50. A knowledge-based forcefield for protein-protein interface design. http://www.ncbi.nlm.nih.gov/pubmed/17910054 please see example_1I9R/README for an example the parameter files are in example_1I9R/gofrfiles/ The code was attached to the above article with the GPLv2 http://www.gnu.org/licenses/gpl-2.0.html
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CForcefield args don't match? #1

Open ever4cyth opened 10 years ago

ever4cyth commented 10 years ago

Making perturb executable..

g++ -g -Wall -o ../perturb ./utils.o ./stringutils.o ./vector3.o ./matrix3.o ./matrix.o ./random.o ./config.o ./atom.o ./residue.o ./chain.o ./system.o ./pairint.o ./ljint.o ./hardsphereint.o ./subset.o ./gentypeint.o ./kbtypeint.o ./forcefield.o ./movebase.o ./rotate.o ./translate.o ./move.o ./landscape.o \ ./perturb.cpp -lm -I./include ./perturb.cpp: In function ‘int main(int, char_)’: ./perturb.cpp:120:48: error: no matching function for call to ‘CForcefield::CForcefield(std::string&, std::string&, int)’ ./perturb.cpp:120:48: note: candidates are: ./include/forcefield.h:39:3: note: CForcefield::CForcefield(std::string, std::string, std::string, bool) ./include/forcefield.h:39:3: note: candidate expects 4 arguments, 3 provided ./include/forcefield.h:35:3: note: CForcefield::CForcefield() ./include/forcefield.h:35:3: note: candidate expects 0 arguments, 3 provided ./include/forcefield.h:15:7: note: CForcefield::CForcefield(const CForcefield&) ./include/forcefield.h:15:7: note: candidate expects 1 argument, 3 provided make: _* [perturb2] Error 1

zigeuner commented 10 years ago

I think I fixed that one. Give it a shot.

The code is old, I don't really remember how it works, and I haven't coded in C++ for years. Not sure how much time I should put into it now.

Thanks for the interest in the code.

best,

-Louis

On Sun, Mar 23, 2014 at 6:37 PM, ever4cyth notifications@github.com wrote:

Making perturb executable..

g++ -g -Wall -o ../perturb ./utils.o ./stringutils.o ./vector3.o ./matrix3.o ./matrix.o ./random.o ./config.o ./atom.o ./residue.o ./chain.o ./system.o ./pairint.o ./ljint.o ./hardsphereint.o ./subset.o ./gentypeint.o ./kbtypeint.o ./forcefield.o ./movebase.o ./rotate.o ./translate.o ./move.o ./landscape.o \ ./perturb.cpp -lm -I./include ./perturb.cpp: In function 'int main(int, char_)': ./perturb.cpp:120:48: error: no matching function for call to 'CForcefield::CForcefield(std::string&, std::string&, int)' ./perturb.cpp:120:48: note: candidates are: ./include/forcefield.h:39:3: note: CForcefield::CForcefield(std::string, std::string, std::string, bool) ./include/forcefield.h:39:3: note: candidate expects 4 arguments, 3 provided ./include/forcefield.h:35:3: note: CForcefield::CForcefield() ./include/forcefield.h:35:3: note: candidate expects 0 arguments, 3 provided ./include/forcefield.h:15:7: note: CForcefield::CForcefield(const CForcefield&) ./include/forcefield.h:15:7: note: candidate expects 1 argument, 3 provided make: _* [perturb2] Error 1

Reply to this email directly or view it on GitHubhttps://github.com/zigeuner/knowlege-based_protein-protein_interface_design/issues/1 .

ever4cyth commented 10 years ago

Thanks a lot, Louis! It works.

On Mon, Mar 24, 2014 at 4:22 AM, zigeuner notifications@github.com wrote:

I think I fixed that one. Give it a shot.

The code is old, I don't really remember how it works, and I haven't coded in C++ for years. Not sure how much time I should put into it now.

Thanks for the interest in the code.

best,

-Louis

On Sun, Mar 23, 2014 at 6:37 PM, ever4cyth notifications@github.com wrote:

Making perturb executable..

g++ -g -Wall -o ../perturb ./utils.o ./stringutils.o ./vector3.o ./matrix3.o ./matrix.o ./random.o ./config.o ./atom.o ./residue.o ./chain.o ./system.o ./pairint.o ./ljint.o ./hardsphereint.o ./subset.o ./gentypeint.o ./kbtypeint.o ./forcefield.o ./movebase.o ./rotate.o ./translate.o ./move.o ./landscape.o \ ./perturb.cpp -lm -I./include ./perturb.cpp: In function 'int main(int, char_)': ./perturb.cpp:120:48: error: no matching function for call to 'CForcefield::CForcefield(std::string&, std::string&, int)' ./perturb.cpp:120:48: note: candidates are: ./include/forcefield.h:39:3: note: CForcefield::CForcefield(std::string, std::string, std::string, bool) ./include/forcefield.h:39:3: note: candidate expects 4 arguments, 3 provided ./include/forcefield.h:35:3: note: CForcefield::CForcefield() ./include/forcefield.h:35:3: note: candidate expects 0 arguments, 3 provided ./include/forcefield.h:15:7: note: CForcefield::CForcefield(const CForcefield&) ./include/forcefield.h:15:7: note: candidate expects 1 argument, 3 provided make: _* [perturb2] Error 1

Reply to this email directly or view it on GitHub< https://github.com/zigeuner/knowlege-based_protein-protein_interface_design/issues/1

.

Reply to this email directly or view it on GitHubhttps://github.com/zigeuner/knowlege-based_protein-protein_interface_design/issues/1#issuecomment-38420290 .

zigeuner commented 10 years ago

Glad it works for you. Nice to see that somebody might use it. Let me know how it works out for you if you get a chance.

best,

-Louis

On Mon, Mar 24, 2014 at 8:41 PM, ever4cyth notifications@github.com wrote:

Thanks a lot, Louis! It works.

On Mon, Mar 24, 2014 at 4:22 AM, zigeuner notifications@github.com wrote:

I think I fixed that one. Give it a shot.

The code is old, I don't really remember how it works, and I haven't coded in C++ for years. Not sure how much time I should put into it now.

Thanks for the interest in the code.

best,

-Louis

On Sun, Mar 23, 2014 at 6:37 PM, ever4cyth notifications@github.com wrote:

Making perturb executable..

g++ -g -Wall -o ../perturb ./utils.o ./stringutils.o ./vector3.o ./matrix3.o ./matrix.o ./random.o ./config.o ./atom.o ./residue.o ./chain.o ./system.o ./pairint.o ./ljint.o ./hardsphereint.o ./subset.o ./gentypeint.o ./kbtypeint.o ./forcefield.o ./movebase.o ./rotate.o ./translate.o ./move.o ./landscape.o \ ./perturb.cpp -lm -I./include ./perturb.cpp: In function 'int main(int, char_)': ./perturb.cpp:120:48: error: no matching function for call to 'CForcefield::CForcefield(std::string&, std::string&, int)' ./perturb.cpp:120:48: note: candidates are: ./include/forcefield.h:39:3: note: CForcefield::CForcefield(std::string, std::string, std::string, bool) ./include/forcefield.h:39:3: note: candidate expects 4 arguments, 3 provided ./include/forcefield.h:35:3: note: CForcefield::CForcefield() ./include/forcefield.h:35:3: note: candidate expects 0 arguments, 3 provided ./include/forcefield.h:15:7: note: CForcefield::CForcefield(const CForcefield&) ./include/forcefield.h:15:7: note: candidate expects 1 argument, 3 provided make: _* [perturb2] Error 1

Reply to this email directly or view it on GitHub<

https://github.com/zigeuner/knowlege-based_protein-protein_interface_design/issues/1

.

Reply to this email directly or view it on GitHub< https://github.com/zigeuner/knowlege-based_protein-protein_interface_design/issues/1#issuecomment-38420290

.

Reply to this email directly or view it on GitHubhttps://github.com/zigeuner/knowlege-based_protein-protein_interface_design/issues/1#issuecomment-38528016 .