From: Jose M. G. <jos...@un...> - 2015-12-18 14:56:31
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Hi, I rescore poses using rbdock with the score.prm protocol as routine on a single molecule within a script. I would like to avoid writing output files and just extract the SCORE and SCORE.INTER properties directly from the STDOUT. However, when I remove the -o argument, I cannot access the scores at all and something like -o /dev/stdout returns an error since the programm still wants to write a file. Is there a way to achieve this without modifying the source code (I don't know much about C++...!)? If not, could you kindly tell me what I should change in the rbdock.cxx to make it work? I also tried to use the -T argument but could not find the scores among the displayed info. Did I miss something? Thank you for your help! Cheers, Jose Manuel Supplementary information: OS: Centos 6x tested system: 1g9v from Selfdocking dataset found at http://www.ysbl.york.ac.uk/rDock/test_data/Selfdock_Test.tar.gz attached files 1g9v_output_score.log: output from command: rbdock -i 1g9v_output.sd -r 1g9v.prm -p score.prm -n 1 -T 3 -o 1g9v_output_score > 1g9v_output_score.log 1g9v_output_score_noOutput.log: output from command: rbdock -i 1g9v_output.sd -r 1g9v.prm -p score.prm -n 1 -T 3 > 1g9v_output_score_noOutput.log |