biopandas

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Esmfold

8

### Description Adds support for retrieving predicted structures from ESMFold. ### Pull Request Checklist - [ ] Added a note about the modification or contribution to the `./docs/sources/CHANGELOG.md` file (if...

a-r-j

### Code of Conduct ### Description Two new features were added to the pacakge: - possibility of making collections of pandaspdb objects, and perform actions on all of them -...

gezmi

Adding possibility for a collection of structures

1

#### Describe the workflow you want to enable I would like to be able to load structures from different sources, into a collection (stack) and make it easier to apply...

gezmi

#### Describe the bug When trying to export pdb data with ATOM and OTHERS entries using `.to_pdb_stream` I always get a `pandas.errors.IntCastingNaNError` (cf. Steps/Code to Reproduce). As I need to...

gate-tec

#### Describe the bug Currently reading or writing PDB data with atomic charges that follow the [PDB v3.3 format](https://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#ATOM) is not possible. The PDB format specifies the notation for `charge`...

gate-tec