Non-descriptive error message `Chain name should be provided` for `query`

[kamurani]

When performing this query:

folddisco query -i ~/folddisco/index/h_sapiens_folddisco \
-p ~/structures/6xr8.cif \
-q A428,A429,A516

I receive this error:

thread 'main' panicked at src/structure/io/cif.rs:260:55:
Chain name should be provided
stack backtrace:
   0:     0x55a2cc937baa - <std::sys::backtrace::BacktraceLock::print::DisplayBacktrace as core::fmt::Display>::fmt::hfc616348d9ad0abc
   1:     0x55a2cc95bc73 - core::fmt::write::h7ca648217bc79799
   2:     0x55a2cc934cd3 - std::io::Write::write_fmt::h7960c58bfa5ccbcb
   3:     0x55a2cc9379f2 - std::sys::backtrace::BacktraceLock::print::h3fb349e80cbe0423
   4:     0x55a2cc938ba0 - std::panicking::default_hook::{{closure}}::h3366e5842cba645d
   5:     0x55a2cc938980 - std::panicking::default_hook::hd7573a5d4879884b
   6:     0x55a2cc939302 - std::panicking::rust_panic_with_hook::h66e909d048c263a9
   7:     0x55a2cc9390aa - std::panicking::begin_panic_handler::{{closure}}::h8d9aa8be7e8634cf
   8:     0x55a2cc9380b9 - std::sys::backtrace::__rust_end_short_backtrace::h7d7e47ef99abf6aa
   9:     0x55a2cc938d3d - rust_begin_unwind
  10:     0x55a2cc6d76d0 - core::panicking::panic_fmt::hf8ffc7c15bfb58a0
  11:     0x55a2cc6d76ab - core::option::expect_failed::h11ade060093e7060
  12:     0x55a2cc786de4 - folddisco::structure::io::cif::parse_mmcif_block_into_structure::hbf0dd2603ea5a2cd
  13:     0x55a2cc784c31 - folddisco::structure::io::cif::Reader<std::fs::File>::read_structure::hb6e6ac0e26931354
  14:     0x55a2cc77bea1 - folddisco::controller::io::read_structure_from_path::h6e629f99ddcd4ec7
  15:     0x55a2cc77b843 - folddisco::controller::io::read_compact_structure::h05e96caf6a9fe351
  16:     0x55a2cc6e57a5 - core::ops::function::impls::<impl core::ops::function::FnMut<A> for &F>::call_mut::hfbd71c451fb4783e
  17:     0x55a2cc78c314 - rayon::iter::plumbing::bridge_producer_consumer::helper::h16746fb737d53b5d
  18:     0x55a2cc789d67 - rayon::iter::ParallelIterator::for_each::h1a33ad78a90006b2
  19:     0x55a2cc6e9d34 - folddisco::cli::workflows::query_pdb::query_pdb::h58b8e47d41a4fb10
  20:     0x55a2cc6dd9b7 - folddisco::main::h699f9e242b4e8042
  21:     0x55a2cc6ddb13 - std::sys::backtrace::__rust_begin_short_backtrace::h1bf4a22efef51605
  22:     0x55a2cc6ddb09 - std::rt::lang_start::{{closure}}::h728e71856a999145
  23:     0x55a2cc92f3a7 - std::rt::lang_start_internal::heee0af441e41a6d2
  24:     0x55a2cc6ddaf5 - main
  25:     0x14a705ed07e5 - __libc_start_main
  26:     0x55a2cc6d7dee - _start
  27:                0x0 - <unknown>

I am not sure what is going wrong as the A chain appears to exist in this structure, retrieved from here.

Is the error referring to a problem with the structure, or my query command?

Thanks in advance!

[khb7840]

Hi @kamurani

Current Folddisco version has issues in reading CIFs with multiple character / numeric chain IDs.

We're planning to update to support these in the next update.

Before that, I think you can parse your data accordingly or use the version with fix by @jeeberhardt (https://github.com/jeeberhardt/folddisco/tree/cif)