| 1 | <!--
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| 2 | @Author: Tristan Croll
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| 3 | @Date: 26-Feb-2018
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| 4 | @Email: tic20@cam.ac.uk
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| 5 | @Last modified by: tic20
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| 6 | @Last modified time: 30-Apr-2018
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| 7 | @License: Creative Commons BY-NC-SA 3.0, https://creativecommons.org/licenses/by-nc-sa/3.0/.
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| 8 | @Copyright: Copyright 2017-2018 Tristan Croll
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| 9 | -->
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| 10 |
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| 11 |
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| 12 |
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| 13 | <BundleInfo name="ChimeraX-Clipper" version="0.2.1" package="chimerax.clipper"
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| 14 | minSessionVersion="1" maxSessionVersion="1">
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| 15 |
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| 16 | <!-- Additional information about bundle source -->
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| 17 | <Author>Tristan Croll</Author>
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| 18 | <Email>tic20@cam.ac.uk</Email>
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| 19 | <URL>To be completed</URL>
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| 20 |
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| 21 | <!-- Synopsis is a one-line description
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| 22 | Description is a full multi-line description -->
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| 23 | <Synopsis>Clipper: Efficient handling of volumetric data and symmetry</Synopsis>
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| 24 | <Description>
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| 25 |
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| 26 | </Description>
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| 27 |
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| 28 | <!-- Categories is a list where this bundle should appear -->
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| 29 | <Categories>
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| 30 | <Category name="General"/>
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| 31 | </Categories>
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| 32 |
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| 40 | <!-- <Library>stdc++</Library> -->
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| 41 |
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| 42 | <SourceFile>src/contour/contour_threaded.cpp</SourceFile>
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| 43 | <SourceFile>src/contour/contourdata.cpp</SourceFile>
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| 44 | </CModule>
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| 45 |
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| 46 | <!-- Compiled modules in bundle
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| 47 | CModule gives the name of the module
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| 48 | Source files are listed in one or more SourceFile elements -->
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| 134 | <Library>mmdb2</Library>
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| 140 |
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| 141 |
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| 151 | <SourceFile>src/deps/clipper/core/fftmap.cpp</SourceFile>
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| 183 |
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| 195 |
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| 197 |
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| 204 |
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| 206 |
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| 208 |
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| 213 |
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| 216 |
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| 217 | </CLibrary>
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| 218 |
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| 271 | <SourceFile>src/bindings/contrib/wrap_sfcalc_obs.cpp</SourceFile>
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| 272 | <SourceFile>src/bindings/contrib/wrap_originmatch.cpp</SourceFile>
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| 273 | <SourceFile>src/bindings/contrib/wrap_mapfilter.cpp</SourceFile>
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| 274 | <SourceFile>src/bindings/contrib/wrap_fffear.cpp</SourceFile>
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| 275 | <SourceFile>src/bindings/contrib/wrap_edcalc.cpp</SourceFile>
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| 276 | <SourceFile>src/bindings/contrib/wrap_convolution_search.cpp</SourceFile>
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| 277 |
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| 278 |
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| 279 | <SourceFile>src/bindings/wrap_clipper_util.cpp</SourceFile>
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| 280 | <SourceFile>src/bindings/wrap_map_utils.cpp</SourceFile>
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| 281 |
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| 282 | <SourceFile>src/bindings/wrap_ccp4_mtz_io.cpp</SourceFile>
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| 283 | <SourceFile>src/bindings/wrap_clipper_cif_io.cpp</SourceFile>
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| 284 |
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| 285 | <SourceFile>src/bindings/wrap_unit_cell.cpp</SourceFile>
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| 286 | <SourceFile>src/bindings/wrap_symops.cpp</SourceFile>
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| 287 | <SourceFile>src/bindings/wrap_spacegroup.cpp</SourceFile>
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| 288 | <SourceFile>src/bindings/wrap_xmap.cpp</SourceFile>
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| 289 | <SourceFile>src/bindings/wrap_nxmap.cpp</SourceFile>
|
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| 290 | <SourceFile>src/bindings/wrap_nxmap_operator.cpp</SourceFile>
|
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| 291 | <SourceFile>src/bindings/wrap_hkl_datatypes.cpp</SourceFile>
|
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| 292 | <SourceFile>src/bindings/wrap_hkl_data.cpp</SourceFile>
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| 293 | <SourceFile>src/bindings/wrap_derivs.cpp</SourceFile>
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| 294 | <SourceFile>src/bindings/wrap_coords.cpp</SourceFile>
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| 295 | <SourceFile>src/bindings/wrap_clipper_stats.cpp</SourceFile>
|
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| 296 | <SourceFile>src/bindings/wrap_cell.cpp</SourceFile>
|
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| 297 | <SourceFile>src/bindings/wrap_atomsf.cpp</SourceFile>
|
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| 298 | <SourceFile>src/bindings/wrap_symop.cpp</SourceFile>
|
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| 299 | <SourceFile>src/bindings/wrap_clipper_types.cpp</SourceFile>
|
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| 300 | <SourceFile>src/bindings/wrap_hkl_info.cpp</SourceFile>
|
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| 301 | <SourceFile>src/bindings/wrap_containers.cpp</SourceFile>
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| 302 | <SourceFile>src/bindings/clipper_pybind11.cpp</SourceFile>
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| 303 | </CModule>
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| 304 |
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| 305 | <CLibrary name = "_symmetry" usesNumpy="true">
|
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| 306 | <SourceFile>src/symmetry_cpp/symmetry.cpp</SourceFile>
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| 307 | <CompileArgument platform="linux">-fvisibility=hidden -fvisibility-inlines-hidden</CompileArgument>
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| 308 | <CompileArgument platform="mac">-fvisibility=hidden -fvisibility-inlines-hidden</CompileArgument>
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| 309 | <LinkArgument platform="linux">-fvisibility=hidden -fvisibility-inlines-hidden -s</LinkArgument>
|
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| 310 | <LinkArgument platform="mac">-fvisibility=hidden -fvisibility-inlines-hidden -s</LinkArgument>
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| 311 | <Library>atomstruct</Library>
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| 312 | <Library>arrays</Library>
|
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| 313 | <!-- <Library>stdc++</Library> -->
|
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| 314 | </CLibrary>
|
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| 315 |
|
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| 316 | <!-- Dependencies on other ChimeraX/Python packages -->
|
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| 317 | <Dependencies>
|
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| 318 | <Dependency name="ChimeraX-Core" version=">=0.8"/>
|
|---|
| 319 | <Dependency name="ChimeraX-Atomic" version=">=1.0"/>
|
|---|
| 320 | <!-- <Dependency name="Clipper-Python" version=">=0.1.1"/> -->
|
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| 321 | </Dependencies>
|
|---|
| 322 |
|
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| 323 |
|
|---|
| 324 | <!-- Python and ChimeraX-specific classifiers
|
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| 325 | From https://pypi.python.org/pypi?%3Aaction=list_classifiers
|
|---|
| 326 | Some Python classifiers are always inserted by the build process.
|
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| 327 | These include the Environment and Operating System classifiers
|
|---|
| 328 | as well as:
|
|---|
| 329 | Framework :: ChimeraX
|
|---|
| 330 | Intended Audience :: Science/Research
|
|---|
| 331 | Programming Language :: Python :: 3
|
|---|
| 332 | Topic :: Scientific/Engineering :: Visualization
|
|---|
| 333 | Topic :: Scientific/Engineering :: Chemistry
|
|---|
| 334 | Topic :: Scientific/Engineering :: Bio-Informatics
|
|---|
| 335 | The "ChimeraX :: Bundle" classifier is also supplied automatically. -->
|
|---|
| 336 | <DataFiles>
|
|---|
| 337 | <DataFile>tests/*.pdb</DataFile>
|
|---|
| 338 | <DataFile>tests/*.mtz</DataFile>
|
|---|
| 339 | <DataFile>tests/*.ccp4</DataFile>
|
|---|
| 340 | <DataFile platform="linux">libfftw2xc.so</DataFile>
|
|---|
| 341 | <DataFile platform="linux">libfftw_mkl_core.so</DataFile>
|
|---|
| 342 | <DataFile platform="mac">libfftw2xc.dylib</DataFile>
|
|---|
| 343 | <DataFile platform="mac">mkl_custom.dylib</DataFile>
|
|---|
| 344 | <DataFile platform="windows">mkl_fftw2.dll</DataFile>
|
|---|
| 345 | </DataFiles>
|
|---|
| 346 |
|
|---|
| 347 | <!-- <DataFiles>
|
|---|
| 348 | <DataFile>dir/file</DataFile>
|
|---|
| 349 | </DataFiles> -->
|
|---|
| 350 | <Classifiers>
|
|---|
| 351 | <!-- Development Status should be compatible with bundle version number -->
|
|---|
| 352 | <PythonClassifier>Development Status :: 2 - Pre-Alpha</PythonClassifier>
|
|---|
| 353 | <PythonClassifier>License :: Free for non-commercial use.</PythonClassifier>
|
|---|
| 354 | ]
|
|---|
| 355 | <ChimeraXClassifier>ChimeraX :: DataFormat :: MTZ reflection file :: mtz :: Reflection data :: .mtz :: :: :: :: :: Crystallographic reflection file</ChimeraXClassifier>
|
|---|
| 356 | <ChimeraXClassifier>ChimeraX :: Open :: MTZ reflection file :: mtz :: true :: structure_model:Structure, over_sampling:Float</ChimeraXClassifier>
|
|---|
| 357 | <ChimeraXClassifier>ChimeraX :: Command :: cxclipper :: General :: Command-line control of Clipper plugin for symmetry and map visualisation</ChimeraXClassifier>
|
|---|
| 358 | ]
|
|---|
| 359 | </Classifiers>
|
|---|
| 360 |
|
|---|
| 361 | </BundleInfo>
|
|---|
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