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Dependencies of the legacy Automated Antibody Docking (AAD) code that are used in AAD2.

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Automated Antibody Docking 2 Dependencies

These are the dependencies for the first try at moving the AAD code from Legacy. We have to move it because it depends on an old cluster, Eliot, that no longer works.

The codes herein are very old. We don't recommend that you use them for anything else.

Intended Use

These dependencies will be used as a submodule for the AAD2_Docker repository. They could also be used if someone wants to craft a system for AAD2 in a non-Docker environment. If you need to do that, checking out the AAD2_Docker repo might give you some good ideas about other requirements. For example, old versions of g++ and boost are required, and those are most easily obtained by installing a fairly old operating system.

The dependencies here are either bespoke code or are not typically available using the built-in package management systems in OS's of the day. In the case of Python 2.7, they were already EOL.

Changes

I have removed any git information in the individual directories because:

  • The current intent is to not change anything from any of this code unless necessary.
  • If we do change anything, it should not become part of the main repo's history.
    • Anything we do here is temporary until we can update all the AAD code.
    • We expect the main repos to have moved far beyond these states by now.
  • It makes having this be a repo easier.

Relation to the Initial Automated Antibody Docking

If you have reason to interacti with code from the original AAD code, the table below relates the original names of the directories herein to their names here. The names here have been shortened for convenience.

Name Here Original Name
AAD2_GLYLIB GLYLIB_DOCKING
MGL_Tools mgltools_x86_64Linux2_1.5.7
VC_1_0 VC_1_0
Python-2.7.8 Python-2.7.8

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Dependencies of the legacy Automated Antibody Docking (AAD) code that are used in AAD2.

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