A position for a Software Specialist in C++ and Modern Fortran
programming is available in the context of a planned effort to
modernise and update the CCP4 coordinate manipulation library
("MMDB"). This effort is funded by CCP4 and is being undertaken
jointly by the CCP4 Core group ("STFC") in the Research Centre at
Harwell, UK ("RCaH") and Global Phasing Ltd ("GPhL") in Cambridge, UK.
MMDB is used in some 40% of about 200 CCP4 applications, including
major programs such as REFMAC and Coot. In view of the move in 2015 by
the wwPDB from PDB to PDBx/mmCIF for the format and content of all PDB
depositions, and of the planned extensions to the contents of such
files (e.g. to include the handling of CIF restraint dictionaries),
MMDB needs a major upgrade to enable it to continue fulfilling its
current role and to play its expected pivotal role in future-proofing
the use of this evolving PDBx/mmCIF standard as a working format by
CCP4 applications.
The overall Specific Aims of the work are as follows:
1. Development of a thoroughly modernised version of MMDB, based on
the PDBx/mmCIF paradigm instead of the PDB-centred one it currently
uses, adopting modern C++ programming standards such as the use the
Standard Template Library (STL) instead of raw pointers, and error
handling through the exception mechanism rather than return codes.
2. Development of high-quality Modern Fortran and Python APIs to this
modernised MMDB, aimed at giving programmers in Modern Fortran and
Python access to all MMDB capabilities available to C++ programmers.
3. Development of new specialised tools to create a comprehensive
toolkit for querying, inspecting and manipulating PDBx/mmCIF files
In order to bolster this team effort, STFC and GPhL are seeking to
recruit for a period of 3 years a Software Specialist – specifically,
a software engineer experienced in scientific code development in both
C++ and Fortran. Essential skills and experience for this position
include fluency in C++, Python and modern Fortran and familiarity with
creating language bindings between C/C++ and other languages.
The Software Specialist will be employed by GPhL and seconded to the
CCP4 Core group at RCaH. Regular communication and visits will ensure
coordination with the development teams for REFMAC, BUSTER and
C++-based CCP4 applications in the definition, development and testing
of the new MMDB and its Fortran API.
More detailed information is available in the attached PDF document.
Applications for this position should be sent to Dr Gerard Bricogne at
[log in to unmask] and should include a CV and a covering letter.
The closing date for applications is February 26th 2016 and the
expected starting date is early April 2016.
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