diff --git a/README.md b/README.md index b81f287..8495fe2 100644 --- a/README.md +++ b/README.md @@ -21,4 +21,5 @@ AutoDock Vina is distributed under the Apache License, Version 2.0. The installation instructions, documentation and tutorials can be found on [readthedocs.org](https://autodock-vina.readthedocs.io/en/latest/). ## Citations -* Trott, O., & Olson, A. J. (2010). AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of computational chemistry, 31(2), 455-461. +* J. Eberhardt, D. Santos-Martins, A. F. Tillack, and S. Forli. (2021). AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings. Journal of Chemical Information and Modeling. +* O. Trott and A. J. Olson. (2010). AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of computational chemistry, 31(2), 455-461. diff --git a/build/makefile_common b/build/makefile_common index 68d1390..dbb616a 100644 --- a/build/makefile_common +++ b/build/makefile_common @@ -21,7 +21,7 @@ LDFLAGS = -L$(BASE)/lib -L. # install libboost_thread-mt, but not # libboost_thread (e.g. macOS) $(shell echo "int main(){ return 0; }" > linktest.cpp) -$(shell $(CC) $(LDFLAGS) -l boost_thread-mt}${BOOST_LIB_VERSION} linktest.cpp -o linktest >/dev/null 2>&1) +$(shell $(CC) $(LDFLAGS) -l boost_thread-mt${BOOST_LIB_VERSION} linktest.cpp -o linktest >/dev/null 2>&1) threadmt:=$(shell if [ -f ./linktest ]; then echo "-mt"; rm ./linktest; fi;) $(shell rm ./linktest.cpp) diff --git a/docs/source/citations.rst b/docs/source/citations.rst index 92eedbf..2c61981 100644 --- a/docs/source/citations.rst +++ b/docs/source/citations.rst @@ -6,7 +6,7 @@ AutoDock Vina AutoDock Vina is a scientific software that is described in academics publications. Please cite these papers when you used AutoDock Vina in your work: -- Santos-Martins, D., Eberhardt, J., Tillack, A.F., Forli, S. (2020). AutoDock Vina 1.2.0. Improved software with new docking methods, expanded force field, and Python bindings. +- Eberhardt, J., Santos-Martins, D., Tillack, A.F., Forli, S. (2021). AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings. Journal of Chemical Information and Modeling. - Trott, O., & Olson, A. J. (2010). AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of computational chemistry, 31(2), 455-461. Related publications diff --git a/src/lib/vina.cpp b/src/lib/vina.cpp index 4356318..d296380 100644 --- a/src/lib/vina.cpp +++ b/src/lib/vina.cpp @@ -30,15 +30,19 @@ void Vina::cite() { #################################################################\n\ # If you used AutoDock Vina in your work, please cite: #\n\ # #\n\ +# J. Eberhardt, D. Santos-Martins, A. F. Tillack, and S. Forli #\n\ +# AutoDock Vina 1.2.0: New Docking Methods, Expanded Force #\n\ +# Field, and Python Bindings, J. Chem. Inf. Model. (2021) #\n\ +# DOI 10.1021/acs.jcim.1c00203 #\n\ +# #\n\ # O. Trott, A. J. Olson, #\n\ # AutoDock Vina: improving the speed and accuracy of docking #\n\ # with a new scoring function, efficient optimization and #\n\ -# multithreading, Journal of Computational Chemistry 31 (2010) #\n\ -# 455-461 #\n\ -# #\n\ +# multithreading, J. Comp. Chem. (2010) #\n\ # DOI 10.1002/jcc.21334 #\n\ # #\n\ -# Please see http://vina.scripps.edu for more information. #\n\ +# Please see https://github.com/ccsb-scripps/AutoDock-Vina for #\n\ +# more information. #\n\ #################################################################\n"; std::cout << cite_message << '\n'; diff --git a/src/main/main.cpp b/src/main/main.cpp index 10581b5..e2903e5 100644 --- a/src/main/main.cpp +++ b/src/main/main.cpp @@ -91,15 +91,19 @@ Thank you!\n"; #################################################################\n\ # If you used AutoDock Vina in your work, please cite: #\n\ # #\n\ +# J. Eberhardt, D. Santos-Martins, A. F. Tillack, and S. Forli #\n\ +# AutoDock Vina 1.2.0: New Docking Methods, Expanded Force #\n\ +# Field, and Python Bindings, J. Chem. Inf. Model. (2021) #\n\ +# DOI 10.1021/acs.jcim.1c00203 #\n\ +# #\n\ # O. Trott, A. J. Olson, #\n\ # AutoDock Vina: improving the speed and accuracy of docking #\n\ # with a new scoring function, efficient optimization and #\n\ -# multithreading, Journal of Computational Chemistry 31 (2010) #\n\ -# 455-461 #\n\ -# #\n\ +# multithreading, J. Comp. Chem. (2010) #\n\ # DOI 10.1002/jcc.21334 #\n\ # #\n\ -# Please see http://vina.scripps.edu for more information. #\n\ +# Please see https://github.com/ccsb-scripps/AutoDock-Vina for #\n\ +# more information. #\n\ #################################################################\n"; try {