Dear Charles: Thank you very much for your response. (John Kuszewski also responded.) I've now encountered the same problem with a single (non-nested) "while" loop. The legacy script (attached), and a command file that calls the script (attached), work fine using XPLOR 98.1 under UNIX (two minimized structures are produced), but with XPLOR-NIH under Linux, the first structure is produced, and then the while loop error occurs:
%X-PLOR-ERR: unrecognized command: while ^^^^ Also, is ABNR minimization supported by XPLOR-NIH? (The line "mini abnr nstep=2000 end" was not recognized). Are there alternatives to Powell? I often encounter situations where ABNR works but Powell fails. Thanks again for all of your help! Keith Charles at Schwieters.org wrote: >-----BEGIN PGP SIGNED MESSAGE----- >Hash: SHA1 > > >Hello Keith-- > > > >>I am (finally) moving from X-PLOR to XPLOR-NIH, and I've ecountered a >>problem with legacy scripts containing nested while loops. The nesting >>worked in XPLOR 98.1 under UNIX, but gives errors when the exact same >>script is run in XPLOR-NIH 2.15.0 under Linux. >> >> >> > >It would be quite helpful if you could send a very short example script >which exhibits the problem. > >Nested while loops are used extensively in legacy XPLOR scripts, and >they should work fine. Do note that Xplor-NIH maintains compatibilty >with X-PLOR 3.851 and it's conceivable that there are slight differences >with XPLOR 98.1, but should be easily worked around. > >best regards-- >Charles >-----BEGIN PGP SIGNATURE----- >Version: GnuPG v1.4.6 (GNU/Linux) >Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> > >iD8DBQFHDn9EPK2zrJwS/lYRAoUzAJ49ZWNaJxIhXq8LooPMIuMxKg+eUwCfUb29 >xzuaplf5zjOpgtVkh4L9ZJk= >=Souj >-----END PGP SIGNATURE----- > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20071012/1a302e31/attachment.html -------------- next part -------------- An embedded and charset-unspecified text was scrubbed... Name: minelec_sum_prot_lig_inp.txt Url: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20071012/1a302e31/attachment.txt -------------- next part -------------- An embedded and charset-unspecified text was scrubbed... Name: generic_commandfile2.txt Url: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20071012/1a302e31/attachment-0001.txt -------------- next part -------------- A non-text attachment was scrubbed... Name: keith.constantine.vcf Type: text/x-vcard Size: 453 bytes Desc: not available Url : http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20071012/1a302e31/attachment.vcf
