Re: [cctbxbb] cif parser & ccp4 mon_lib incompatibility

Hi Nat, On Apr 11, 2013, at 12:44 PM, Nathaniel Echols wrote:

Okay, this problem should be fixed in the latest SVN revision - James, could you please update and let us know if you're still seeing problems?

I updated via svn and tst_sa.py worked perfectly. Thanks! James

On Thu, Apr 11, 2013 at 7:49 AM, Nathaniel Echols wrote:

...

On Thu, Apr 11, 2013 at 12:17 AM, James Stroud wrote:

...

I downloaded this library, but its failing. Do you know what I'm doing wrong?

File "/usr/local/cctbx/cctbx_sources/mmtbx/monomer_library/server.py", line 226, in __init__ geostd_list_cif_obj = geostd_list_cif() File "/usr/local/cctbx/cctbx_sources/mmtbx/monomer_library/server.py", line 69, in geostd_list_cif strict=strict) File "/usr/local/cctbx/cctbx_sources/mmtbx/monomer_library/server.py", line 56, in __init__ + ", ".join(mon_lib_env_vars)) mmtbx.monomer_library.server.MonomerLibraryServerError: Cannot find CCP4 monomer library. Please define one of these environment variables: MMTBX_CCP4_MONOMER_LIB, CLIBD_MON

Ah, this I think is genuinely our fault - it is requiring that you have a file which is not part of the CCP4 monomer library at all, but rather part of a separate curated library ("geostd") which we distribute. This is clearly a bug; I'll bug the relevant parties. I think you're doing everything else correctly, though. For now, there are a couple of things to try:

1) "touch $MMTBX_CCP4_MONOMER_LIB/list/geostd_list.cif" which may or may not work.

2) Just pull out the entire chem_data tree from a Phenix installation and dump it in /usr/local/cctbx. Since we want to make this freely redistributable anyway, this will be a viable long-term solution (and since it's actually causing problems that this isn't readily available, I will see if I can push this quickly).

But we may have a fix for the crash soon - will post a follow-up if and when it's committed to SVN.

-Nat

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