Pipeline Pilot® is the famous graphical workflow programming software from BIOVIA. BioSolveIT and BIOVIA entered into a comprehensive partnership agreement with the aim of making the BioSolveIT software-tools accessible to all our users via Pipeline Pilot®. Note that these interfaces are available free of charge. However, you will need a separate Pipeline Pilot® license from BIOVIA as well as a license for the BioSolveIT-software which can be obtained here.
Supported operating systems: Windows and Linux
Ah, c'est trop facile, Senior Scientist, Sanofi-Aventis
The way you generate components for PP is very clever. We also use something similar in some of our software, and I have not seen it used by any other ISV. Our users love this feature, and I am sure yours will too!, Guillaume Paillard, Senior Consultant, SciTegic/Accelrys
Drag&Drop – that's it? – Wow! (speechless), Application Scientist, Servier
That is really very, very nice!, Research scientist, Nycomed
That's fantastic!, Dr. Chido P. Mpamhanga, University of Dundee, UK
See how it works in practice, watch our webinar recording:
|additional downloads:||demo material (zip)|
For your comfort and convenience, we implemented a fully automatic web-based installer. Simplydownload (tar.gz) download (zip)
one of the packages above and drag&drop all xml-files therein into the Pipeline Pilot® Components folder. Double-click on the 'BioSolveIT Web Installer'-component and edit the two red-colored parameters:
Finally check to see if the server specified under Server Installation List is indeed your Pipeline Pilot® server. Note that you need to have permissions to install software on the server. Now run the installer. It will download stuff to the designated location and install several executables. Finally it will provide an installation report listing the installed software and the results of several basic tests.
If the installation step was successful there is just one more thing to do. From the downloaded package, you need to drag&drop the folder called BioSolveIT/ into your Pipeline Pilot® Components folder. The XML-packages herein are the Pipeline Pilot® interfaces to our software. You may use these now to implement workflows.
Note, if anything goes wrong, please don't hesitate to contact us, we are happy to help. There is also a user guide with more detailed information in the download packages above.
Performing docking calculations is a routine, yet quite delicate task in every structure-based drug discovery process. Rather than framing it as a black-box approach we have made it particularly target-specific. You can now set up your protein-target for docking guided by an interactive wizard in our new LeadIT-GUI. After having satisfied yourself with the performance of the docking you may export all settings including the protein in a so-called Project File (.fxx), which you provide as an input parameter to the module.
Similarity searching is a task that needs to be performed routinely and oftentimes in conjunction with other tools in a workflow. With the release of the Pipeline Pilot® components for FTrees, this is now child's play.
The crux of virtual screening today is an efficient and effective way to estimate binding affinities. HYDE is a novel ground-breaking technology for this task. Simply provide a PDB and a ligand to define the binding site, then all input molecules are optimized and scored. On the output port you get the optimized molecule conformation and the lower bound of the estimated affinity range, which may then be used for sorting and filtering.
3D small molecule alignment is the method of choice when it comes to ligand-based design. This can be done routinely in a virtual screening setup using FlexS. In such a scenario the flexible fit may be used as the critical 3D shape filter or the preparation for SAR analysis.