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Pull requests: uibcdf/molsysmt

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Structures new
#108 by dprada was merged Feb 14, 2024
3 tasks
New topology
#107 by dprada was merged Nov 16, 2023 Loading…
Fortran code removed. Using Numba from now on.
#103 by dprada was merged Jun 4, 2023 Loading…
Conversion from multiple items fixed
#101 by dprada was merged Mar 21, 2023 Loading…
Bug fixed in molsysmt.MolSys iterators
#100 by dprada was merged Feb 17, 2023 Loading…
Bugs fixed
#99 by dprada was merged Feb 14, 2023 Loading…
PSF, CRD and DCD files included
#98 by dprada was merged Feb 11, 2023 Loading…
Iterators and more.
#97 by dprada was merged Feb 6, 2023 Loading…
Adding new documentation
#96 by dprada was merged Oct 27, 2022 Loading…
Documentation in process
#94 by dprada was merged Oct 17, 2022 Loading…
Basic documentation updated
#92 by dprada was merged Sep 28, 2022 Loading…
Improving documentation
#91 by dprada was merged Sep 21, 2022 Loading…
Biological assembly enhancement New feature or request
#90 by dprada was merged Sep 4, 2022 Loading… 0.6.4
Bug fixed in item.molsysmt_Topology.get bug Something isn't working
#89 by dprada was merged Aug 23, 2022 Loading… 0.6.3
Working with b_factors, charges and alternate locations. enhancement New feature or request
#88 by dprada was merged Aug 23, 2022 Loading… 0.6.2
Removing check enhancement New feature or request
#87 by dprada was merged Aug 15, 2022 Loading… 0.6.1
Iterator to work with trajectories
#86 by Daniel-Ibarrola was merged Jul 29, 2022 Loading…
Convert mmtf files to mdtraj
#85 by Daniel-Ibarrola was merged Jul 16, 2022 Loading…
Documentation restructuration documentation About the documentation
#82 by dprada was merged Jul 8, 2022 Loading…
1 task done
0.6.1
Exceptions report more information
#79 by Daniel-Ibarrola was merged Jul 8, 2022 Loading…
Forms file.trjpk and molsysmt.TrajectoryDict added to pass all tests tests About testing
#77 by dprada was merged Jul 7, 2022 Loading…
2 tasks done
0.6.1
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