Comments (2)
jgreener64
commented on May 25, 2024
It can't be done with BioStructures.jl but it looks like MOL2 and SDF are supported file formats in Chemfiles.jl, so you could try that.
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Nick-Mul
commented on May 25, 2024
Thanks Joe.
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Related Issues (15)
- BioStructures fails to parse certain PDB files from SCOPe/ASTRAL archive HOT 1
- Create a ContactMap from a BitArray HOT 3
- Error using BioStructures, no "libz1" module found HOT 2
- Request for symmetries HOT 2
- Suggestion: Make structural elements mutable HOT 7
- MMCIF reader parsing mistakes, some keys are missing / corrupted HOT 3
- Multiple selection and Merge Selection HOT 5
- Secondary Structure Information HOT 7
- MMCIF reading error
- export fixlists! HOT 1
- Strip whitespaces from atom/element names HOT 1
- Feature suggestion: support BinaryCIF file format HOT 1
- failing to read PDB files generated by VMD HOT 28
- x, y, z seem too generic to export HOT 2
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