[Molvis-list] rasmol load xyz

Herbert J. Bernstein yaya at bernstein-plus-sons.com
Sat Oct 25 07:19:20 EDT 2008


The default optimization is -O2.   Could you just try a build with -g
in place of -O2?  In any case, whether it fails or not, please do send
me the output.  I suspect the rest of the people on the molvis list
might be happier if you sent it to me directly (yaya at bernstein-plus-sons.com)
rather than sending it to all of them.

Thanks.
   -- Herbert


At 7:40 PM -0400 10/24/08, Keith McLaughlin wrote:
>I compiled it from source. I can post the output if it might be helpful.
>
>On Fri, Oct 24, 2008 at 5:28 PM, Herbert J. Bernstein <
>yaya at bernstein-plus-sons.com> wrote:
>
>>  Did you get the binary from an RPM or did you build it from source?
>>  It sounds like a bad compilation. -- HJB
>>
>>  =====================================================
>>   Herbert J. Bernstein, Professor of Computer Science
>>    Dowling College, Kramer Science Center, KSC 121
>>         Idle Hour Blvd, Oakdale, NY, 11769
>>
>>                  +1-631-244-3035
>>                  yaya at dowling.edu
>>  =====================================================
>>
>>  On Mon, 20 Oct 2008, Keith McLaughlin wrote:
>>
>>   I tested it on another box and it seems to work. The problem is with
>>>  rasmol
>>>  2.7.4.2 on fedora core 4.
>>>
>>>  On Sat, Oct 18, 2008 at 3:59 PM, Herbert J. Bernstein <
>>>  yaya at bernstein-plus-sons.com> wrote:
>>>
>>>   Could you be more specific about which binary of what rasmol
>>>>  version you tried on what system with what xyz file?  I just
>>>>  tried it on a mac with rasmol 2.7.4.2 under X11 and it worked
>>>>  both ways for 1crn.xyz.
>>>>
>>>>  -- Herbert
>>>>
>>>>  =====================================================
>>>>   Herbert J. Bernstein, Professor of Computer Science
>>>>   Dowling College, Kramer Science Center, KSC 121
>>>>        Idle Hour Blvd, Oakdale, NY, 11769
>>>>
>>>>                 +1-631-244-3035
>>>>                 yaya at dowling.edu
>>>>  =====================================================
>>>>
>>>>
>>>>  On Fri, 17 Oct 2008, Keith McLaughlin wrote:
>>>>
>>>>   Hi all,
>>>>
>>>>>
>>>>>  Perhaps this has already been pointed out, I wasn't able to find any
>>>>>  mention
>>>>>  in the archives. Using the command "load xyz somefile.xyz" does not
>>>>>  work.
>>>>>  It
>>>>>  gives a "Molecule database not loaded!" error. If I use the command line
>>>>>  ./rasmol -xyz somefile.xyz, however, it loads fine.
>>>>>
>>>>>  --
>>>>>  Keith McLaughlin
>>>>>  University of South Florida
>>>>>  Department of Physics
>>>>>  4202 E. Fowler Ave
>>>>>  Tampa, FL 33620
>>>>>  _______________________________________________
>>>>>  Molvis-list mailing list
>>>>>  Molvis-list at bioinformatics.org
>>>>>  http://www.bioinformatics.org/mailman/listinfo/molvis-list
>>>>>
>>>>>
>>>>>   _______________________________________________
>>>>  Molvis-list mailing list
>>>>  Molvis-list at bioinformatics.org
>>>>  http://www.bioinformatics.org/mailman/listinfo/molvis-list
>>>>
>>>>
>>>
>>>
>>>  --
>>>  Keith McLaughlin
>>>  University of South Florida
>>>  Department of Physics
>>>  4202 E. Fowler Ave
>>>  Tampa, FL 33620
>>>  _______________________________________________
>>>  Molvis-list mailing list
>>>  Molvis-list at bioinformatics.org
>>>  http://www.bioinformatics.org/mailman/listinfo/molvis-list
>>>
>>>
>>  _______________________________________________
>>  Molvis-list mailing list
>>  Molvis-list at bioinformatics.org
>>  http://www.bioinformatics.org/mailman/listinfo/molvis-list
>>
>
>
>
>--
>Keith McLaughlin
>University of South Florida
>Department of Physics
>4202 E. Fowler Ave
>Tampa, FL 33620
>_______________________________________________
>Molvis-list mailing list
>Molvis-list at bioinformatics.org
>http://www.bioinformatics.org/mailman/listinfo/molvis-list


-- 
=====================================================
  Herbert J. Bernstein, Professor of Computer Science
    Dowling College, Kramer Science Center, KSC 121
         Idle Hour Blvd, Oakdale, NY, 11769

                  +1-631-244-3035
                  yaya at dowling.edu
=====================================================



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