Known Issues¶
Please check the online version of this issues page: https://gphl.gitlab.io/grade2_docs/issues.html as this is updated frequently as new issues arise.
Issues for Grade2 version 1.3.0
(Distributed with BUSTER 20221121)¶
Please also see:
Before updating your CSD installation please check the online version of the Grade2/CSD compatibility page: https://gphl.gitlab.io/grade2_docs/csd_compatibility.html
Grade2 termination IndexError: string index out of range
for a very large ligand¶
Grade2 --lookup
and --pubchem_names
terminates with SSL: CERTIFICATE_VERIFY_FAILED
¶
Issues for Grade2 version 1.2.0
(Grade2 Update Release 31 March 2022)¶
Issues for Grade2 version 1.1.0
(Distributed with BUSTER 20220203)¶
Grade2 cannot read a MOL2 file of a charged molecule when it has atomic partial charges¶
Bug fixed #444 in Grade2 release
1.2.0
.
Grade2 restraint dictionaries cannot be read by Coot because of long InChI records¶
Bug fixed #438 in Grade2 release
1.2.0
.
On MacOS 10.15 using NFS - there may be problems running Grade2¶
Issues for Grade2 version 1.0.0
(Distributed with BUSTER 20210716 and 20211020)¶
Grade2 cannot read a MOL2 file of a charged molecule when it has atomic partial charges¶
Please see section above - Bug fixed #444 in Grade2 release
1.2.0
.
Grade2 restraint dictionaries cannot be read by Coot because of long InChI records¶
Please see section above - Bug fixed #438 in Grade2 release
1.2.0
.
On MacOS, Grade2 does not work with latest CSD Release 2021.2 (September 2021)¶
Bug fixed #390 in Grade2 release
1.1.0
.
On MacOS installation of (or update to) 2021.1 CSD Release (July 2021) causes Grade2 to crash¶
Bug fixed #390 in Grade2 release
1.1.0
.
Bug: input from MOL2 file that has atom names containing lower case letters¶
Bug fixed #324 in Grade2 release
1.1.0
.
Bug: grade2 will fail if the environment variable PYTHONPATH
is set¶
Bug fixed #349 in Grade2 release
1.1.0
.
Bug: "Suggestion: to view/edit the restraints, use one of the commands" gives wrong filenames when --out is used¶
Bug fixed #333 in Grade2 release
1.1.0
.
.
(the blank lines above are included so that hyperlinks to FAQs above work better).
Please check the online version of this issues page: https://gphl.gitlab.io/grade2_docs/issues.html as this is updated frequently as new issues arise.