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Bug Fix: Preserve full FASTA ID in alignment directory parsing to prevent truncation errors #485

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24 changes: 16 additions & 8 deletions openfold/utils/script_utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -116,15 +116,23 @@ def load_models_from_command_line(config, model_device, openfold_checkpoint_path


def parse_fasta(data):
# Remove any empty lines or trailing ">" characters
data = re.sub('>$', '', data, flags=re.M)
lines = [
l.replace('\n', '')
for prot in data.split('>') for l in prot.strip().split('\n', 1)
][1:]
tags, seqs = lines[::2], lines[1::2]

tags = [re.split('\W| \|', t)[0] for t in tags]


# Split the data into entries based on '>'
entries = data.split('>')[1:] # Skip the first empty element

tags = []
seqs = []

for entry in entries:
lines = entry.split('\n', 1)
if len(lines) == 2:
tag = lines[0].strip() # Take the full tag (header)
seq = lines[1].replace('\n', '').strip() # Remove newlines and any extra spaces in the sequence
tags.append(tag)
seqs.append(seq)

return tags, seqs


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