This is the Linux app named HostDesigner whose latest release can be downloaded as hostdesigner.tar.gz. It can be run online in the free hosting provider OnWorks for workstations.
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HostDesigner
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DESCRIPTION
Although many potential applications exist in chemistry and material science, software to allow the general application of de novo structure-based design methods in supramolecular chemistry was non-existent. To address this limitation we created HostDesigner, a code that builds and evaluates millions of molecules in minutes. This command line executable builds 3D molecular structures by covalently connecting user-defined input fragments with pre-computed hydrocarbon fragments from a library. The results are ranked with respect to desired geometric constraints defined by the user. See the User's Manual for further details including a list of literature citations for example applications.
Download includes User's Manual, HostDesigner 4.3 source code (in Fortran), data files, example input, HDViewer executables for MacOS, Linux, and Windows, and mengine source code (in C).
HostDesigner was developed and posted by author Dr. Benjamin P Hay
Audience
Science/Research
Programming Language
Fortran, C
Categories
This is an application that can also be fetched from https://sourceforge.net/projects/hostdesigner/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
